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 156.7
[M+Na]+ 282.05302 166.6
[M-H]- 258.05652 159.8
[M+NH4]+ 277.09762 172.8
[M+K]+ 298.02696 154.0
[M+H-H2O]+ 242.06106 152.1
[M+HCOO]- 304.06200 171.6
[M+CH3COO]- 318.07765 181.9
[M+Na-2H]- 280.03847 164.4
[M]+ 259.06325 156.7
[M]- 259.06435 156.7
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.