CID 132372748

1-(2,2-difluorocyclopropyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H6F2N2O2
SMILES
C1C(C1(F)F)N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C7H6F2N2O2/c8-7(9)1-5(7)11-3-4(2-10-11)6(12)13/h2-3,5H,1H2,(H,12,13)
InChIKey
XOSUOSQZVIFQJM-UHFFFAOYSA-N
Compound name
1-(2,2-difluorocyclopropyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03973 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04701 134.9
[M+Na]+ 211.02895 146.9
[M-H]- 187.03245 136.9
[M+NH4]+ 206.07355 150.2
[M+K]+ 227.00289 143.4
[M+H-H2O]+ 171.03699 127.3
[M+HCOO]- 233.03793 154.3
[M+CH3COO]- 247.05358 181.4
[M+Na-2H]- 209.01440 138.9
[M]+ 188.03918 135.5
[M]- 188.04028 135.5
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.