CID 55973

89457-11-4

Structural Information

Molecular Formula
C8H2BrClF4N2
SMILES
C1=C2C(=C(C(=C1F)Cl)Br)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H2BrClF4N2/c9-4-5(10)2(11)1-3-6(4)16-7(15-3)8(12,13)14/h1H,(H,15,16)
InChIKey
LQPBTVYGNVQAED-UHFFFAOYSA-N
Compound name
4-bromo-5-chloro-6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.9026 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.909876 155.5
[M+Na]+ 338.891818 173.3
[M-H]- 314.895324 155.6
[M+NH4]+ 333.936423 175.2
[M+K]+ 354.865758 158.1
[M+H-H2O]+ 298.899860 153.3
[M+HCOO]- 360.900801 166.1
[M+CH3COO]- 374.916451 196.9
[M+Na-2H]- 336.877266 161.0
[M]+ 315.90205142 172.1
[M]- 315.90314858 172.1
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.