CID 278824

Nsc128755

Structural Information

Molecular Formula
C14H9Cl3N2
SMILES
CC1=CC(=C(C=C1)Cl)C2=NC3=CC(=C(C=C3N2)Cl)Cl
InChI
InChI=1S/C14H9Cl3N2/c1-7-2-3-9(15)8(4-7)14-18-12-5-10(16)11(17)6-13(12)19-14/h2-6H,1H3,(H,18,19)
InChIKey
NWSKRFSPBZOXLS-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-(2-chloro-5-methylphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.98312 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.99040 165.2
[M+Na]+ 332.97234 179.1
[M-H]- 308.97584 167.8
[M+NH4]+ 328.01694 181.5
[M+K]+ 348.94628 170.1
[M+H-H2O]+ 292.98038 158.4
[M+HCOO]- 354.98132 171.7
[M+CH3COO]- 368.99697 176.6
[M+Na-2H]- 330.95779 167.6
[M]+ 309.98257 169.5
[M]- 309.98367 169.5
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.