CID 84689395

1780871-34-2

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₂

SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)N=C1Cl

InChI

InChI=1S/C10H9ClN2O2/c1-13-8-4-3-6(9(14)15-2)5-7(8)12-10(13)11/h3-5H,1-2H3

InChIKey

GRBCZHNRZDDLOT-UHFFFAOYSA-N

Compound name

methyl 2-chloro-1-methylbenzimidazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 224.03525 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]+	225.04253	143.7
[M+Na]+	247.02447	158.6
[M+NH4]+	242.06907	151.9
[M+K]+	262.99841	153.8
[M-H]-	223.02797	144.5
[M+Na-2H]-	245.00992	149.8
[M]+	224.03470	146.3
[M]-	224.03580	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe