CID 138989231

2137729-16-7

Structural Information

Molecular Formula
C8H8F2N2O2
SMILES
C1CC1N2C=C(C(=N2)C(F)F)C(=O)O
InChI
InChI=1S/C8H8F2N2O2/c9-7(10)6-5(8(13)14)3-12(11-6)4-1-2-4/h3-4,7H,1-2H2,(H,13,14)
InChIKey
QGIHKLAZNGXOTQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-(difluoromethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

202.05539 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06267 138.6
[M+Na]+ 225.04461 149.2
[M-H]- 201.04811 140.2
[M+NH4]+ 220.08921 151.4
[M+K]+ 241.01855 145.0
[M+H-H2O]+ 185.05265 129.8
[M+HCOO]- 247.05359 157.1
[M+CH3COO]- 261.06924 185.5
[M+Na-2H]- 223.03006 140.0
[M]+ 202.05484 138.6
[M]- 202.05594 138.6
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