CID 278827

2-(2,5-dichlorophenyl)-1h-benzimidazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

262.00644 Da
Monoisotopic Mass

3.9
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

No literature data available for this compound.

Patent stripe

patents stripe