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

3212
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

literature stripe

Patent stripe

patents stripe