CID 198642

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

Structural Information

Molecular Formula
C8HBr2F5N2
SMILES
C12=C(C(=C(C(=C1Br)F)Br)F)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8HBr2F5N2/c9-1-3(11)2(10)5-6(4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)
InChIKey
XILWGCOFEKFQIG-UHFFFAOYSA-N
Compound name
5,7-dibromo-4,6-difluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.84265 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.84993 162.0
[M+Na]+ 400.83187 177.4
[M-H]- 376.83537 163.1
[M+NH4]+ 395.87647 179.1
[M+K]+ 416.80581 159.9
[M+H-H2O]+ 360.83991 167.3
[M+HCOO]- 422.84085 172.1
[M+CH3COO]- 436.85650 212.2
[M+Na-2H]- 398.81732 166.0
[M]+ 377.84210 191.8
[M]- 377.84320 191.8
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.