CID 55946

89427-04-3

Structural Information

Molecular Formula
C9H6BrF3N2
SMILES
CC1=C(C2=C(C=C1)NC(=N2)C(F)(F)F)Br
InChI
InChI=1S/C9H6BrF3N2/c1-4-2-3-5-7(6(4)10)15-8(14-5)9(11,12)13/h2-3H,1H3,(H,14,15)
InChIKey
HXJCFALYERVBLM-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.96664 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.97392 153.0
[M+Na]+ 300.95586 168.7
[M-H]- 276.95936 154.1
[M+NH4]+ 296.00046 173.2
[M+K]+ 316.92980 155.5
[M+H-H2O]+ 260.96390 151.0
[M+HCOO]- 322.96484 168.7
[M+CH3COO]- 336.98049 192.4
[M+Na-2H]- 298.94131 159.5
[M]+ 277.96609 169.0
[M]- 277.96719 169.0
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.