CID 10751154

2-bromo-5-(trifluoromethyl)-1h-imidazole hydrobromide

Structural Information

Molecular Formula
C4H2BrF3N2
SMILES
C1=C(NC(=N1)Br)C(F)(F)F
InChI
InChI=1S/C4H2BrF3N2/c5-3-9-1-2(10-3)4(6,7)8/h1H,(H,9,10)
InChIKey
VFGFJTUKOPRNEJ-UHFFFAOYSA-N
Compound name
2-bromo-5-(trifluoromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

213.93535 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.94263 135.0
[M+Na]+ 236.92457 148.8
[M-H]- 212.92807 134.5
[M+NH4]+ 231.96917 156.0
[M+K]+ 252.89851 137.3
[M+H-H2O]+ 196.93261 132.9
[M+HCOO]- 258.93355 151.0
[M+CH3COO]- 272.94920 179.0
[M+Na-2H]- 234.91002 141.8
[M]+ 213.93480 148.0
[M]- 213.93590 148.0
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