CID 51212

Benzimidazolemethanol, alpha-(p-chlorophenyl)-, hydrochloride

Structural Information

Molecular Formula
C14H12ClN2O
SMILES
C1=CC=C2C(=C1)NC=[N+]2C(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C14H11ClN2O/c15-11-7-5-10(6-8-11)14(18)17-9-16-12-3-1-2-4-13(12)17/h1-9,14,18H/p+1
InChIKey
GYZKXHYPYPIEES-UHFFFAOYSA-O
Compound name
3H-benzimidazol-1-ium-1-yl-(4-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0638 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07108 153.2
[M+Na]+ 282.05302 171.3
[M+NH4]+ 277.09762 163.3
[M+K]+ 298.02696 165.6
[M-H]- 258.05652 158.3
[M+Na-2H]- 280.03847 163.1
[M]+ 259.06325 158.0
[M]- 259.06435 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.