CID 14510368

1621-01-8

Structural Information

Molecular Formula
C14H10Cl2N2O
SMILES
C1=CC(=CC=C1OCC2=NC3=C(N2)C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H10Cl2N2O/c15-9-1-4-11(5-2-9)19-8-14-17-12-6-3-10(16)7-13(12)18-14/h1-7H,8H2,(H,17,18)
InChIKey
AOVFOFHJYXPODM-UHFFFAOYSA-N
Compound name
6-chloro-2-[(4-chlorophenoxy)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

292.01703 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02431 161.1
[M+Na]+ 315.00625 173.4
[M-H]- 291.00975 164.6
[M+NH4]+ 310.05085 177.6
[M+K]+ 330.98019 165.3
[M+H-H2O]+ 275.01429 153.5
[M+HCOO]- 337.01523 173.5
[M+CH3COO]- 351.03088 173.1
[M+Na-2H]- 312.99170 166.3
[M]+ 292.01648 166.0
[M]- 292.01758 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe