CID 2776030

Perfluoroazelaic acid

Structural Information

Molecular Formula
C9H2F14O4
SMILES
C(=O)(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H2F14O4/c10-3(11,1(24)25)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2(26)27/h(H,24,25)(H,26,27)
InChIKey
WRYSWXOLGMKBKW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

141
Patents

439.97296 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.98024 175.4
[M+Na]+ 462.96218 175.0
[M+NH4]+ 458.00678 174.4
[M+K]+ 478.93612 174.6
[M-H]- 438.96568 171.5
[M+Na-2H]- 460.94763 173.9
[M]+ 439.97241 174.1
[M]- 439.97351 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe