CID 175584

94094-26-5

Structural Information

Molecular Formula
C35H61F9O4Si
SMILES
CCCCCCCCCCCCC(C(=O)O)[Si](C)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(CCCCCCCCCCCC)C(=O)O
InChI
InChI=1S/C35H61F9O4Si/c1-4-6-8-10-12-14-16-18-20-22-24-28(30(45)46)49(3,27-26-32(36,37)33(38,39)34(40,41)35(42,43)44)29(31(47)48)25-23-21-19-17-15-13-11-9-7-5-2/h28-29H,4-27H2,1-3H3,(H,45,46)(H,47,48)
InChIKey
GESMFLWHJHJCRF-UHFFFAOYSA-N
Compound name
2-[1-carboxytridecyl-methyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silyl]tetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

744.41956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.42684 249.0
[M+Na]+ 767.40878 251.6
[M-H]- 743.41228 247.8
[M+NH4]+ 762.45338 257.4
[M+K]+ 783.38272 264.1
[M+H-H2O]+ 727.41682 239.8
[M+HCOO]- 789.41776 249.7
[M+CH3COO]- 803.43341 280.9
[M+Na-2H]- 765.39423 235.3
[M]+ 744.41901 246.6
[M]- 744.42011 246.6
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.