CID 112946

5-biphenyl-4-yl-2h-tetrazole

Structural Information

Molecular Formula

C₁₃H₁₀N₄

SMILES

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

InChI

InChI=1S/C13H10N4/c1-2-4-10(5-3-1)11-6-8-12(9-7-11)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)

InChIKey

CMPDXBXNGAEVNY-UHFFFAOYSA-N

Compound name

5-(4-phenylphenyl)-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 222.09055 Da
Monoisotopic Mass: 2.8
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]+	223.09783	149.2
[M+Na]+	245.07977	165.2
[M+NH4]+	240.12437	157.1
[M+K]+	261.05371	159.1
[M-H]-	221.08327	153.3
[M+Na-2H]-	243.06522	160.8
[M]+	222.09000	152.6
[M]-	222.09110	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe