CID 10511969

184832-29-9

Structural Information

Molecular Formula

C₁₀H₉ClN₂

SMILES

C1CC1N2C3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C10H9ClN2/c11-10-12-8-3-1-2-4-9(8)13(10)7-5-6-7/h1-4,7H,5-6H2

InChIKey

FBJWXQWZWIISCG-UHFFFAOYSA-N

Compound name

2-chloro-1-cyclopropylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 192.04543 Da
Monoisotopic Mass: 2.9
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]+	193.05271	141.1
[M+Na]+	215.03465	154.6
[M-H]-	191.03815	146.9
[M+NH4]+	210.07925	157.0
[M+K]+	231.00859	148.5
[M+H-H2O]+	175.04269	133.7
[M+HCOO]-	237.04363	160.4
[M+CH3COO]-	251.05928	154.9
[M+Na-2H]-	213.02010	147.9
[M]+	192.04488	146.4
[M]-	192.04598	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe