CID 14922997

6-h-perfluorohexanoic acid

Structural Information

Molecular Formula
C6H2F10O2
SMILES
C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H2F10O2/c7-1(8)3(9,10)5(13,14)6(15,16)4(11,12)2(17)18/h1H,(H,17,18)
InChIKey
XRFUZLYVDISQAA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6-decafluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

295.9895 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99678 147.5
[M+Na]+ 318.97872 156.1
[M-H]- 294.98222 134.8
[M+NH4]+ 314.02332 161.1
[M+K]+ 334.95266 154.0
[M+H-H2O]+ 278.98676 136.4
[M+HCOO]- 340.98770 151.7
[M+CH3COO]- 355.00335 200.2
[M+Na-2H]- 316.96417 149.5
[M]+ 295.98895 131.7
[M]- 295.99005 131.7
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

patents stripe