CID 71427989

917951-65-6

Structural Information

Molecular Formula
C4HF5O2
SMILES
C(=O)(C1(C(C1(F)F)(F)F)F)O
InChI
InChI=1S/C4HF5O2/c5-2(1(10)11)3(6,7)4(2,8)9/h(H,10,11)
InChIKey
HXUVAKMCUAKGOU-UHFFFAOYSA-N
Compound name
1,2,2,3,3-pentafluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.98967 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99695 117.0
[M+Na]+ 198.97889 130.1
[M-H]- 174.98239 115.8
[M+NH4]+ 194.02349 137.2
[M+K]+ 214.95283 129.3
[M+H-H2O]+ 158.98693 111.9
[M+HCOO]- 220.98787 133.5
[M+CH3COO]- 235.00352 180.1
[M+Na-2H]- 196.96434 123.9
[M]+ 175.98912 114.8
[M]- 175.99022 114.8
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.