CID 75921

Perfluoropentanoic acid

Structural Information

Molecular Formula
C5HF9O2
SMILES
C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
InChIKey
CXZGQIAOTKWCDB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

48
References

3684
Patents

263.98328 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99056 141.1
[M+Na]+ 286.97250 150.3
[M-H]- 262.97600 129.7
[M+NH4]+ 282.01710 156.2
[M+K]+ 302.94644 148.3
[M+H-H2O]+ 246.98054 130.9
[M+HCOO]- 308.98148 147.5
[M+CH3COO]- 322.99713 192.9
[M+Na-2H]- 284.95795 145.2
[M]+ 263.98273 126.9
[M]- 263.98383 126.9
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.