CID 44152445

Einecs 297-929-9

Structural Information

Molecular Formula
C34H24F46O5
SMILES
CC(COCC(C)OCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)OCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C34H24F46O5/c1-9(84-7-11(81)3-13(35,36)17(41,42)21(49,50)25(57,58)29(65,66)27(61,62)23(53,54)19(45,46)15(39,31(69,70)71)32(72,73)74)5-83-6-10(2)85-8-12(82)4-14(37,38)18(43,44)22(51,52)26(59,60)30(67,68)28(63,64)24(55,56)20(47,48)16(40,33(75,76)77)34(78,79)80/h9-12,81-82H,3-8H2,1-2H3
InChIKey
ACVJGNXQTVSKDY-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-1-[1-[2-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecoxy]propoxy]propan-2-yloxy]-12-(trifluoromethyl)tridecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1386.0889 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1387.096176 313.8
[M+Na]+ 1409.078118 313.3
[M-H]- 1385.081624 326.8
[M+NH4]+ 1404.122723 323.5
[M+K]+ 1425.052058 326.9
[M+H-H2O]+ 1369.086160 303.9
[M+HCOO]- 1431.087101 317.6
[M+CH3COO]- 1445.102751 280.2
[M+Na-2H]- 1407.063566 313.8
[M]+ 1386.08835142 304.7
[M]- 1386.08944858 304.7
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.