CID 54461210

7-bromo-1-methyl-5-(trifluoromethyl)benzimidazole

Structural Information

Molecular Formula
C9H6BrF3N2
SMILES
CN1C=NC2=C1C(=CC(=C2)C(F)(F)F)Br
InChI
InChI=1S/C9H6BrF3N2/c1-15-4-14-7-3-5(9(11,12)13)2-6(10)8(7)15/h2-4H,1H3
InChIKey
TVFCEADQYIAZOM-UHFFFAOYSA-N
Compound name
7-bromo-1-methyl-5-(trifluoromethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.96664 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.97392 152.2
[M+Na]+ 300.95586 168.4
[M-H]- 276.95936 154.7
[M+NH4]+ 296.00046 173.2
[M+K]+ 316.92980 156.1
[M+H-H2O]+ 260.96390 150.1
[M+HCOO]- 322.96484 169.4
[M+CH3COO]- 336.98049 194.9
[M+Na-2H]- 298.94131 159.3
[M]+ 277.96609 170.0
[M]- 277.96719 170.0
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

patents stripe