CID 3801066

1,5-diphenyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H12N2O2/c19-16(20)14-11-17-18(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)
InChIKey
XFYHUVOWHZCRFB-UHFFFAOYSA-N
Compound name
1,5-diphenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

29
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 158.7
[M+Na]+ 287.07909 166.9
[M-H]- 263.08259 165.1
[M+NH4]+ 282.12369 173.1
[M+K]+ 303.05303 161.9
[M+H-H2O]+ 247.08713 149.5
[M+HCOO]- 309.08807 180.0
[M+CH3COO]- 323.10372 170.5
[M+Na-2H]- 285.06454 162.4
[M]+ 264.08932 158.1
[M]- 264.09042 158.1
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