CID 17609321

1-(4-chlorophenyl)-5-oxo-2,5-dihydro-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H7ClN2O3
SMILES
C1=CC(=CC=C1N2C(=O)C=C(N2)C(=O)O)Cl
InChI
InChI=1S/C10H7ClN2O3/c11-6-1-3-7(4-2-6)13-9(14)5-8(12-13)10(15)16/h1-5,12H,(H,15,16)
InChIKey
BTUDGWWRQVTVDT-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

238.01453 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02181 146.2
[M+Na]+ 261.00375 157.1
[M-H]- 237.00725 148.7
[M+NH4]+ 256.04835 162.6
[M+K]+ 276.97769 151.5
[M+H-H2O]+ 221.01179 139.6
[M+HCOO]- 283.01273 162.4
[M+CH3COO]- 297.02838 183.0
[M+Na-2H]- 258.98920 149.1
[M]+ 238.01398 147.3
[M]- 238.01508 147.3
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

No patent data available for this compound.