CID 45078057

156212-80-5

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

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

InChI

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

InChIKey

LIJXFEZWIFQFLT-UHFFFAOYSA-N

Compound name

5-chloro-1-methylbenzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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]+	195.031966	136.3
[M+Na]+	217.013908	149.9
[M-H]-	193.017414	139.2
[M+NH4]+	212.058513	157.6
[M+K]+	232.987848	145.1
[M+H-H2O]+	177.021950	130.2
[M+HCOO]-	239.022891	156.0
[M+CH3COO]-	253.038541	151.2
[M+Na-2H]-	214.999356	143.3
[M]+	194.02414142	141.9
[M]-	194.02523858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe