CID 278831

313402-16-3

Structural Information

Molecular Formula

C₁₃H₁₀ClN₃

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)N)Cl

InChI

InChI=1S/C13H10ClN3/c14-10-6-5-8(15)7-9(10)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2,(H,16,17)

InChIKey

BGPSLCKBFGPVES-UHFFFAOYSA-N

Compound name

3-(1H-benzimidazol-2-yl)-4-chloroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 243.05632 Da
Monoisotopic Mass: 2.6
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]+	244.06360	151.6
[M+Na]+	266.04554	163.4
[M-H]-	242.04904	155.7
[M+NH4]+	261.09014	169.3
[M+K]+	282.01948	155.6
[M+H-H2O]+	226.05358	144.1
[M+HCOO]-	288.05452	169.9
[M+CH3COO]-	302.07017	164.3
[M+Na-2H]-	264.03099	157.8
[M]+	243.05577	152.3
[M]-	243.05687	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe