CID 86310

113060-13-2

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂O

SMILES

CC1=NC2=CC(=C(C=C2N1CCCO)Cl)Cl

InChI

InChI=1S/C11H12Cl2N2O/c1-7-14-10-5-8(12)9(13)6-11(10)15(7)3-2-4-16/h5-6,16H,2-4H2,1H3

InChIKey

KYCISTYRQNEVDL-UHFFFAOYSA-N

Compound name

3-(5,6-dichloro-2-methylbenzimidazol-1-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 258.03265 Da
Monoisotopic Mass: 2.7
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]+	259.03993	153.2
[M+Na]+	281.02187	166.3
[M-H]-	257.02537	153.9
[M+NH4]+	276.06647	171.9
[M+K]+	296.99581	159.5
[M+H-H2O]+	241.02991	147.6
[M+HCOO]-	303.03085	165.2
[M+CH3COO]-	317.04650	192.2
[M+Na-2H]-	279.00732	157.1
[M]+	258.03210	159.6
[M]-	258.03320	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe