CID 55941

89426-98-2

Structural Information

Molecular Formula
C8H3BrF4N2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)Br)F
InChI
InChI=1S/C8H3BrF4N2/c9-4-1-3(10)2-5-6(4)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)
InChIKey
CSWMRZAOJVOJBN-UHFFFAOYSA-N
Compound name
4-bromo-6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.94156 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.94884 151.9
[M+Na]+ 304.93078 168.0
[M-H]- 280.93428 151.8
[M+NH4]+ 299.97538 171.8
[M+K]+ 320.90472 154.6
[M+H-H2O]+ 264.93882 149.2
[M+HCOO]- 326.93976 166.9
[M+CH3COO]- 340.95541 192.3
[M+Na-2H]- 302.91623 158.3
[M]+ 281.94101 166.4
[M]- 281.94211 166.4
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.