CID 21125

5028-38-6

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O

SMILES

C1=CC=C2C(=C1)NC(=N2)C(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13(18)14-16-11-3-1-2-4-12(11)17-14/h1-8,13,18H,(H,16,17)

InChIKey

MGOMPWPNDFWOMN-UHFFFAOYSA-N

Compound name

1H-benzimidazol-2-yl-(4-chlorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 258.056 Da
Monoisotopic Mass: 3.0
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]+	259.06328	154.6
[M+Na]+	281.04522	165.1
[M-H]-	257.04872	157.6
[M+NH4]+	276.08982	171.1
[M+K]+	297.01916	157.7
[M+H-H2O]+	241.05326	147.3
[M+HCOO]-	303.05420	169.9
[M+CH3COO]-	317.06985	166.5
[M+Na-2H]-	279.03067	160.0
[M]+	258.05545	155.8
[M]-	258.05655	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe