CID 21124

5028-36-4

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O

SMILES

C1=CC=C(C(=C1)C(C2=NC3=CC=CC=C3N2)O)Cl

InChI

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

InChIKey

XUYNRXMKTFQWDQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
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]+	259.063276	154.6
[M+Na]+	281.045218	165.1
[M-H]-	257.048724	157.6
[M+NH4]+	276.089823	171.1
[M+K]+	297.019158	157.7
[M+H-H2O]+	241.053260	147.3
[M+HCOO]-	303.054201	169.9
[M+CH3COO]-	317.069851	166.5
[M+Na-2H]-	279.030666	160.0
[M]+	258.05545142	155.8
[M]-	258.05654858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe