CID 3009967

Akos014051990

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
COC(C1=CC=CC=C1)C2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN2O/c1-19-14(10-5-3-2-4-6-10)15-17-12-8-7-11(16)9-13(12)18-15/h2-9,14H,1H3,(H,17,18)
InChIKey
OGEPTXPWAVPVOI-UHFFFAOYSA-N
Compound name
6-chloro-2-[methoxy(phenyl)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.07166 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 159.4
[M+Na]+ 295.06088 169.7
[M-H]- 271.06438 163.4
[M+NH4]+ 290.10548 176.0
[M+K]+ 311.03482 163.0
[M+H-H2O]+ 255.06892 151.4
[M+HCOO]- 317.06986 175.8
[M+CH3COO]- 331.08551 171.4
[M+Na-2H]- 293.04633 164.6
[M]+ 272.07111 162.6
[M]- 272.07221 162.7
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.