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
2
Annotation Hits

0
References

1
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 155.3
[M+Na]+ 329.01946 163.4
[M-H]- 305.02296 143.4
[M+NH4]+ 324.06406 168.9
[M+K]+ 344.99340 160.7
[M+H-H2O]+ 289.02750 144.6
[M+HCOO]- 351.02844 160.8
[M+CH3COO]- 365.04409 201.6
[M+Na-2H]- 327.00491 157.9
[M]+ 306.02969 142.3
[M]- 306.03079 142.3
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

patents stripe