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

3
Patents

175.98967 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.996946 117.0
[M+Na]+ 198.978888 130.1
[M-H]- 174.982394 115.8
[M+NH4]+ 194.023493 137.2
[M+K]+ 214.952828 129.3
[M+H-H2O]+ 158.986930 111.9
[M+HCOO]- 220.987871 133.5
[M+CH3COO]- 235.003521 180.1
[M+Na-2H]- 196.964336 123.9
[M]+ 175.98912142 114.8
[M]- 175.99021858 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

patents stripe