CID 83814717

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

Structural Information

Molecular Formula
C4H3BrF2N2
SMILES
C1=C(N=CN1C(F)F)Br
InChI
InChI=1S/C4H3BrF2N2/c5-3-1-9(2-8-3)4(6)7/h1-2,4H
InChIKey
BIZYMGHNRLSEAQ-UHFFFAOYSA-N
Compound name
4-bromo-1-(difluoromethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

195.94476 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.95204 129.3
[M+Na]+ 218.93398 142.9
[M-H]- 194.93748 131.2
[M+NH4]+ 213.97858 151.6
[M+K]+ 234.90792 132.9
[M+H-H2O]+ 178.94202 127.4
[M+HCOO]- 240.94296 148.4
[M+CH3COO]- 254.95861 180.0
[M+Na-2H]- 216.91943 135.7
[M]+ 195.94421 145.3
[M]- 195.94531 145.3
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