CID 137935631

4-bromo-1-(trifluoromethyl)-1h-imidazole

Structural Information

Molecular Formula
C4H2BrF3N2
SMILES
C1=C(N=CN1C(F)(F)F)Br
InChI
InChI=1S/C4H2BrF3N2/c5-3-1-10(2-9-3)4(6,7)8/h1-2H
InChIKey
SPMOUDITDVWTPU-UHFFFAOYSA-N
Compound name
4-bromo-1-(trifluoromethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

213.93535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.94263 134.0
[M+Na]+ 236.92457 148.3
[M-H]- 212.92807 134.9
[M+NH4]+ 231.96917 155.7
[M+K]+ 252.89851 137.8
[M+H-H2O]+ 196.93261 131.8
[M+HCOO]- 258.93355 151.5
[M+CH3COO]- 272.94920 181.6
[M+Na-2H]- 234.91002 141.4
[M]+ 213.93480 148.9
[M]- 213.93590 148.9
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