CID 67020912

5-chloro-1-cyclopropyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
C1CC1N2C(=C(C=N2)C(=O)O)Cl
InChI
InChI=1S/C7H7ClN2O2/c8-6-5(7(11)12)3-9-10(6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKey
UONWSOGRFVEFPB-UHFFFAOYSA-N
Compound name
5-chloro-1-cyclopropylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

186.0196 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 137.6
[M+Na]+ 209.008818 149.3
[M-H]- 185.012324 141.5
[M+NH4]+ 204.053423 151.8
[M+K]+ 224.982758 144.2
[M+H-H2O]+ 169.016860 131.1
[M+HCOO]- 231.017801 154.7
[M+CH3COO]- 245.033451 180.3
[M+Na-2H]- 206.994266 140.8
[M]+ 186.01905142 141.4
[M]- 186.02014858 141.4
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