CID 847409

1,3-diphenyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O2/c19-16(20)14-11-18(13-9-5-2-6-10-13)17-15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)
InChIKey
OTDDCLPBNWLJLH-UHFFFAOYSA-N
Compound name
1,3-diphenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

50
Patents

264.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 160.3
[M+Na]+ 287.07909 175.2
[M+NH4]+ 282.12369 167.9
[M+K]+ 303.05303 169.9
[M-H]- 263.08259 164.7
[M+Na-2H]- 285.06454 170.4
[M]+ 264.08932 163.6
[M]- 264.09042 163.6
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