CID 622363

26192-74-5

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N2O2/c19-16(20)13-6-8-14(9-7-13)18-11-10-15(17-18)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20)

InChIKey

LAPVFTFXZOTVLT-UHFFFAOYSA-N

Compound name

4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.10553 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.112806	160.0
[M+Na]+	289.094748	167.2
[M-H]-	265.098254	166.0
[M+NH4]+	284.139353	174.2
[M+K]+	305.068688	162.3
[M+H-H2O]+	249.102790	150.7
[M+HCOO]-	311.103731	179.9
[M+CH3COO]-	325.119381	171.3
[M+Na-2H]-	287.080196	162.7
[M]+	266.10498142	158.0
[M]-	266.10607858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe