CID 21124

Alpha-(o-chlorophenyl)-2-benzimidazolemethanol

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

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe