CID 138394901

1,1'-(oxybis((1-methylethylene)oxy))bis(3-(perfluorododecyl)propan-2-ol)

Structural Information

Molecular Formula
C36H24F50O5
SMILES
CC(COCC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)OC(C)COCC(CC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C36H24F50O5/c1-9(5-89-7-11(87)3-13(37,38)15(41,42)17(45,46)19(49,50)21(53,54)23(57,58)25(61,62)27(65,66)29(69,70)31(73,74)33(77,78)35(81,82)83)91-10(2)6-90-8-12(88)4-14(39,40)16(43,44)18(47,48)20(51,52)22(55,56)24(59,60)26(63,64)28(67,68)30(71,72)32(75,76)34(79,80)36(84,85)86/h9-12,87-88H,3-8H2,1-2H3
InChIKey
PXYNEDUJSONOLW-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-1-[2-[1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecoxy)propan-2-yloxy]propoxy]pentadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1486.0825 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1487.0898 329.4
[M+Na]+ 1509.0717 328.9
[M-H]- 1485.0752 341.5
[M+NH4]+ 1504.1163 337.4
[M+K]+ 1525.0457 340.3
[M+H-H2O]+ 1469.0798 320.9
[M+HCOO]- 1531.0807 332.4
[M+CH3COO]- 1545.0964 276.5
[M+Na-2H]- 1507.0572 329.1
[M]+ 1486.0820 318.1
[M]- 1486.0830 318.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.