CID 57531797

29096-76-2

Structural Information

Molecular Formula

C₈H₇Cl₂N₃

SMILES

C1=C2C(=CC(=C1Cl)Cl)N=C(N2)CN

InChI

InChI=1S/C8H7Cl2N3/c9-4-1-6-7(2-5(4)10)13-8(3-11)12-6/h1-2H,3,11H2,(H,12,13)

InChIKey

ROLMMAUMZSFHNM-UHFFFAOYSA-N

Compound name

(5,6-dichloro-1H-benzimidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 215.00171 Da
Monoisotopic Mass: 2.0
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]+	216.00899	141.5
[M+Na]+	237.99093	154.3
[M-H]-	213.99443	141.8
[M+NH4]+	233.03553	161.1
[M+K]+	253.96487	147.2
[M+H-H2O]+	197.99897	136.0
[M+HCOO]-	259.99991	154.8
[M+CH3COO]-	274.01556	154.5
[M+Na-2H]-	235.97638	147.1
[M]+	215.00116	143.5
[M]-	215.00226	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe