CID 19343

6-bromo-2-trifluoromethyl-1h-benzoimidazole

Structural Information

Molecular Formula
C8H4BrF3N2
SMILES
C1=CC2=C(C=C1Br)NC(=N2)C(F)(F)F
InChI
InChI=1S/C8H4BrF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChIKey
FKSDCMMCSWXZLS-UHFFFAOYSA-N
Compound name
6-bromo-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

61
Patents

263.951 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95828 148.3
[M+Na]+ 286.94022 163.6
[M-H]- 262.94372 149.2
[M+NH4]+ 281.98482 168.7
[M+K]+ 302.91416 150.6
[M+H-H2O]+ 246.94826 146.3
[M+HCOO]- 308.94920 164.4
[M+CH3COO]- 322.96485 188.5
[M+Na-2H]- 284.92567 156.0
[M]+ 263.95045 163.6
[M]- 263.95155 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe