CID 49777715

4,5-dichloro-2-(2,6-difluorophenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C13H6Cl2F2N2
SMILES
C1=CC(=C(C(=C1)F)C2=NC3=C(N2)C=CC(=C3Cl)Cl)F
InChI
InChI=1S/C13H6Cl2F2N2/c14-6-4-5-9-12(11(6)15)19-13(18-9)10-7(16)2-1-3-8(10)17/h1-5H,(H,18,19)
InChIKey
MSEUJVIRGHUNND-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(2,6-difluorophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9876 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99488 157.8
[M+Na]+ 320.97682 172.6
[M-H]- 296.98032 159.4
[M+NH4]+ 316.02142 174.6
[M+K]+ 336.95076 163.3
[M+H-H2O]+ 280.98486 149.2
[M+HCOO]- 342.98580 168.3
[M+CH3COO]- 357.00145 170.0
[M+Na-2H]- 318.96227 161.0
[M]+ 297.98705 160.0
[M]- 297.98815 160.0
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

No patent data available for this compound.