CID 45078056

156212-81-6

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

CN1C2=C(C=CC(=C2)Cl)N=C1C=O

InChI

InChI=1S/C9H7ClN2O/c1-12-8-4-6(10)2-3-7(8)11-9(12)5-13/h2-5H,1H3

InChIKey

VEHAYIARTMUDIZ-UHFFFAOYSA-N

Compound name

6-chloro-1-methylbenzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.02469 Da
Monoisotopic Mass: 2.2
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]+	195.03197	135.9
[M+Na]+	217.01391	151.9
[M+NH4]+	212.05851	145.0
[M+K]+	232.98785	145.9
[M-H]-	193.01741	137.5
[M+Na-2H]-	214.99936	143.1
[M]+	194.02414	139.0
[M]-	194.02524	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.