CID 175584

Dtxsid00881134

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
1
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 202.1
[M+Na]+ 767.40878 202.8
[M+NH4]+ 762.45338 269.7
[M+K]+ 783.38272 204.2
[M-H]- 743.41228 200.0
[M+Na-2H]- 765.39423 197.7
[M]+ 744.41901 202.1
[M]- 744.42011 202.1
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.