CID 19388302

164265-78-5

Structural Information

Molecular Formula

C₁₄H₁₀N₄O₂

SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3

InChI

InChI=1S/C14H10N4O2/c19-14(20)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)

InChIKey

USAWIVMZUYOXCF-UHFFFAOYSA-N

Compound name

4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 47
Patents: 266.08038 Da
Monoisotopic Mass: 2.3
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]+	267.08766	158.8
[M+Na]+	289.06960	167.3
[M-H]-	265.07310	161.4
[M+NH4]+	284.11420	169.5
[M+K]+	305.04354	161.3
[M+H-H2O]+	249.07764	148.5
[M+HCOO]-	311.07858	176.4
[M+CH3COO]-	325.09423	169.2
[M+Na-2H]-	287.05505	163.0
[M]+	266.07983	156.6
[M]-	266.08093	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe