CID 126664

97420-53-6

Structural Information

Molecular Formula

C₁₃H₁₀N₄O₂

SMILES

C1=CC=C2C(=C1)NC(=N2)N=NC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C13H10N4O2/c18-11-6-5-8(7-12(11)19)16-17-13-14-9-3-1-2-4-10(9)15-13/h1-7,18-19H,(H,14,15)

InChIKey

JEMKYXOBXUOCGT-UHFFFAOYSA-N

Compound name

4-(1H-benzimidazol-2-yldiazenyl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 254.08037 Da
Monoisotopic Mass: 2.9
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]+	255.08765	151.8
[M+Na]+	277.06959	162.0
[M-H]-	253.07309	157.0
[M+NH4]+	272.11419	167.9
[M+K]+	293.04353	156.8
[M+H-H2O]+	237.07763	143.3
[M+HCOO]-	299.07857	177.1
[M+CH3COO]-	313.09422	164.6
[M+Na-2H]-	275.05504	160.6
[M]+	254.07982	152.7
[M]-	254.08092	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe