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]+ 293.024306 161.5
[M+Na]+ 315.006248 174.7
[M-H]- 291.009754 165.4
[M+NH4]+ 310.050853 178.3
[M+K]+ 330.980188 166.7
[M+H-H2O]+ 275.014290 154.2
[M+HCOO]- 337.015231 173.8
[M+CH3COO]- 351.030881 173.8
[M+Na-2H]- 312.991696 165.9
[M]+ 292.01648142 166.8
[M]- 292.01757858 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.