CID 67020912

950859-94-6

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

16
Patents

186.0196 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 137.6
[M+Na]+ 209.00882 149.3
[M-H]- 185.01232 141.5
[M+NH4]+ 204.05342 151.8
[M+K]+ 224.98276 144.2
[M+H-H2O]+ 169.01686 131.1
[M+HCOO]- 231.01780 154.7
[M+CH3COO]- 245.03345 180.3
[M+Na-2H]- 206.99427 140.8
[M]+ 186.01905 141.4
[M]- 186.02015 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