CID 14576144

123344-96-7

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H11ClN2O2/c14-8-4-6-9(7-5-8)16-11-3-1-2-10(11)12(15-16)13(17)18/h4-7H,1-3H2,(H,17,18)
InChIKey
MSXZRDOCGJCRLQ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.0509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05818 157.8
[M+Na]+ 285.04012 167.9
[M-H]- 261.04362 162.2
[M+NH4]+ 280.08472 176.6
[M+K]+ 301.01406 162.5
[M+H-H2O]+ 245.04816 151.0
[M+HCOO]- 307.04910 173.2
[M+CH3COO]- 321.06475 170.1
[M+Na-2H]- 283.02557 158.5
[M]+ 262.05035 159.4
[M]- 262.05145 159.4
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