CID 89853053

1469287-10-2

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
C1CC1(C(=O)O)N2C=C(C=N2)Cl
InChI
InChI=1S/C7H7ClN2O2/c8-5-3-9-10(4-5)7(1-2-7)6(11)12/h3-4H,1-2H2,(H,11,12)
InChIKey
XKQWMNQELZDIST-UHFFFAOYSA-N
Compound name
1-(4-chloropyrazol-1-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.0196 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 137.4
[M+Na]+ 209.00882 149.0
[M-H]- 185.01232 141.4
[M+NH4]+ 204.05342 153.3
[M+K]+ 224.98276 144.9
[M+H-H2O]+ 169.01686 131.8
[M+HCOO]- 231.01780 154.3
[M+CH3COO]- 245.03345 178.7
[M+Na-2H]- 206.99427 142.5
[M]+ 186.01905 141.3
[M]- 186.02015 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe