CID 3008657

Methyl 2-(2,4-dichlorophenyl)-1h-benzimidazole-5-carboxylate

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(N2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O2/c1-21-15(20)8-2-5-12-13(6-8)19-14(18-12)10-4-3-9(16)7-11(10)17/h2-7H,1H3,(H,18,19)
InChIKey
GETMJTHVISZVKY-UHFFFAOYSA-N
Compound name
methyl 2-(2,4-dichlorophenyl)-3H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.01193 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01921 167.7
[M+Na]+ 343.00115 180.3
[M-H]- 319.00465 171.8
[M+NH4]+ 338.04575 183.2
[M+K]+ 358.97509 172.7
[M+H-H2O]+ 303.00919 160.5
[M+HCOO]- 365.01013 179.2
[M+CH3COO]- 379.02578 179.5
[M+Na-2H]- 340.98660 170.7
[M]+ 320.01138 173.6
[M]- 320.01248 173.6
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

No patent data available for this compound.