CID 15545302

5,5,6,6,7,7,8,8,8-nonafluorooctanoic acid

Structural Information

Molecular Formula
C8H7F9O2
SMILES
C(CC(=O)O)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F9O2/c9-5(10,3-1-2-4(18)19)6(11,12)7(13,14)8(15,16)17/h1-3H2,(H,18,19)
InChIKey
AQGBOPDJGMNAKJ-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,8-nonafluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03024 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03752 186.5
[M+Na]+ 329.01946 186.9
[M+NH4]+ 324.06406 185.5
[M+K]+ 344.99340 184.6
[M-H]- 305.02296 177.8
[M+Na-2H]- 327.00491 182.9
[M]+ 306.02969 183.7
[M]- 306.03079 183.7
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.