CID 23090

Benzimidazole, 6-bromo-4-nitro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H3BrF3N3O2
SMILES
C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)[N+](=O)[O-])Br
InChI
InChI=1S/C8H3BrF3N3O2/c9-3-1-4-6(5(2-3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)
InChIKey
USUPLSWSXSTERT-UHFFFAOYSA-N
Compound name
6-bromo-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.93607 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.94335 155.7
[M+Na]+ 331.92529 169.9
[M-H]- 307.92879 157.0
[M+NH4]+ 326.96989 173.6
[M+K]+ 347.89923 153.4
[M+H-H2O]+ 291.93333 157.4
[M+HCOO]- 353.93427 172.8
[M+CH3COO]- 367.94992 190.6
[M+Na-2H]- 329.91074 164.9
[M]+ 308.93552 170.7
[M]- 308.93662 170.7
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