CID 49777711

4,5-dichloro-2-(4-methoxyphenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C14H10Cl2N2O
SMILES
COC1=CC=C(C=C1)C2=NC3=C(N2)C=CC(=C3Cl)Cl
InChI
InChI=1S/C14H10Cl2N2O/c1-19-9-4-2-8(3-5-9)14-17-11-7-6-10(15)12(16)13(11)18-14/h2-7H,1H3,(H,17,18)
InChIKey
DZFXQUKOTSCAGS-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.01703 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02431 161.5
[M+Na]+ 315.00625 174.7
[M-H]- 291.00975 165.4
[M+NH4]+ 310.05085 178.3
[M+K]+ 330.98019 166.7
[M+H-H2O]+ 275.01429 154.2
[M+HCOO]- 337.01523 173.8
[M+CH3COO]- 351.03088 173.8
[M+Na-2H]- 312.99170 165.9
[M]+ 292.01648 166.8
[M]- 292.01758 166.8
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

No patent data available for this compound.