CID 198649

Benzimidazole, 6-bromo-5,7-dichloro-4-methyl-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H4BrCl2F3N2
SMILES
CC1=C2C(=C(C(=C1Cl)Br)Cl)NC(=N2)C(F)(F)F
InChI
InChI=1S/C9H4BrCl2F3N2/c1-2-4(11)3(10)5(12)7-6(2)16-8(17-7)9(13,14)15/h1H3,(H,16,17)
InChIKey
ADZMYPDRUCSMAN-UHFFFAOYSA-N
Compound name
6-bromo-5,7-dichloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.8887 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.89598 160.4
[M+Na]+ 368.87792 179.0
[M-H]- 344.88142 161.3
[M+NH4]+ 363.92252 179.7
[M+K]+ 384.85186 162.8
[M+H-H2O]+ 328.88596 159.4
[M+HCOO]- 390.88690 166.8
[M+CH3COO]- 404.90255 202.3
[M+Na-2H]- 366.86337 164.8
[M]+ 345.88815 179.5
[M]- 345.88925 179.5
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.