CID 49831

67370-32-5

Structural Information

Molecular Formula
C13H8Cl2N2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H8Cl2N2/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)
InChIKey
HFRQRSXRKCUENZ-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

262.00644 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.01372 153.8
[M+Na]+ 284.99566 166.7
[M-H]- 260.99916 157.4
[M+NH4]+ 280.04026 171.6
[M+K]+ 300.96960 158.3
[M+H-H2O]+ 245.00370 146.6
[M+HCOO]- 307.00464 166.3
[M+CH3COO]- 321.02029 166.4
[M+Na-2H]- 282.98111 159.5
[M]+ 262.00589 157.0
[M]- 262.00699 157.0
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