CID 23383

6953-65-7

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

C1=CC2=C(C=C1Cl)NC(=N2)CO

InChI

InChI=1S/C8H7ClN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-3,12H,4H2,(H,10,11)

InChIKey

NIWRFQPRPJVQLO-UHFFFAOYSA-N

Compound name

(6-chloro-1H-benzimidazol-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 80
Patents: 182.02469 Da
Monoisotopic Mass: 1.6
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]+	183.03197	133.0
[M+Na]+	205.01391	147.6
[M+NH4]+	200.05851	141.7
[M+K]+	220.98785	142.4
[M-H]-	181.01741	133.7
[M+Na-2H]-	202.99936	139.6
[M]+	182.02414	135.5
[M]-	182.02524	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe