CID 198650

Benzimidazole, 5-chloro-6,7-dibromo-4-methyl-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C9H4Br2ClF3N2
SMILES
CC1=C2C(=C(C(=C1Cl)Br)Br)NC(=N2)C(F)(F)F
InChI
InChI=1S/C9H4Br2ClF3N2/c1-2-5(12)3(10)4(11)7-6(2)16-8(17-7)9(13,14)15/h1H3,(H,16,17)
InChIKey
MMGDMNXUWSCLNR-UHFFFAOYSA-N
Compound name
6,7-dibromo-5-chloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.8382 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.84548 161.8
[M+Na]+ 412.82742 177.8
[M-H]- 388.83092 164.7
[M+NH4]+ 407.87202 179.5
[M+K]+ 428.80136 159.3
[M+H-H2O]+ 372.83546 168.7
[M+HCOO]- 434.83640 169.6
[M+CH3COO]- 448.85205 212.9
[M+Na-2H]- 410.81287 166.4
[M]+ 389.83765 195.3
[M]- 389.83875 195.3
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.