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]+ 316.90988 155.5
[M+Na]+ 338.89182 173.3
[M-H]- 314.89532 155.6
[M+NH4]+ 333.93642 175.2
[M+K]+ 354.86576 158.1
[M+H-H2O]+ 298.89986 153.3
[M+HCOO]- 360.90080 166.1
[M+CH3COO]- 374.91645 196.9
[M+Na-2H]- 336.87727 161.0
[M]+ 315.90205 172.1
[M]- 315.90315 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.