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]+ 189.047006 134.9
[M+Na]+ 211.028948 146.9
[M-H]- 187.032454 136.9
[M+NH4]+ 206.073553 150.2
[M+K]+ 227.002888 143.4
[M+H-H2O]+ 171.036990 127.3
[M+HCOO]- 233.037931 154.3
[M+CH3COO]- 247.053581 181.4
[M+Na-2H]- 209.014396 138.9
[M]+ 188.03918142 135.5
[M]- 188.04027858 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.