CID 44149831

93776-02-4

Structural Information

Molecular Formula
C28H24F34O5
SMILES
CC(COCC(CC(C(C(C(C(C(C(C(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(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C28H24F34O5/c1-9(5-65-7-11(63)3-13(29,30)15(33,34)17(37,38)19(41,42)21(45,46)23(49,50)25(53,54)27(57,58)59)67-10(2)6-66-8-12(64)4-14(31,32)16(35,36)18(39,40)20(43,44)22(47,48)24(51,52)26(55,56)28(60,61)62/h9-12,63-64H,3-8H2,1-2H3
InChIKey
NNSKOCZMIOWJNF-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-[2-[1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecoxy)propan-2-yloxy]propoxy]undecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1086.108 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1087.1153 269.1
[M+Na]+ 1109.0972 268.7
[M-H]- 1085.1007 283.1
[M+NH4]+ 1104.1418 282.5
[M+K]+ 1125.0712 286.8
[M+H-H2O]+ 1069.1053 255.5
[M+HCOO]- 1131.1062 274.2
[M+CH3COO]- 1145.1219 287.1
[M+Na-2H]- 1107.0827 267.5
[M]+ 1086.1075 265.7
[M]- 1086.1085 265.7
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.