CID 237056

1-phenyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)C(=O)O
InChI
InChI=1S/C10H8N2O2/c13-10(14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKey
FLYDUXCFCARXHI-UHFFFAOYSA-N
Compound name
2-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

246
Patents

188.05858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 137.7
[M+Na]+ 211.04780 146.4
[M-H]- 187.05130 141.0
[M+NH4]+ 206.09240 155.5
[M+K]+ 227.02174 143.4
[M+H-H2O]+ 171.05584 130.0
[M+HCOO]- 233.05678 159.7
[M+CH3COO]- 247.07243 177.9
[M+Na-2H]- 209.03325 143.0
[M]+ 188.05803 137.2
[M]- 188.05913 137.2
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