CID 165999718

2-(5-bromo-1-methyl-1h-imidazol-2-yl)-2,2-difluoroethan-1-ol

Structural Information

Molecular Formula
C6H7BrF2N2O
SMILES
CN1C(=CN=C1C(CO)(F)F)Br
InChI
InChI=1S/C6H7BrF2N2O/c1-11-4(7)2-10-5(11)6(8,9)3-12/h2,12H,3H2,1H3
InChIKey
PEMFOCBYZABZBX-UHFFFAOYSA-N
Compound name
2-(5-bromo-1-methylimidazol-2-yl)-2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97098 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.978256 142.9
[M+Na]+ 262.960198 156.6
[M-H]- 238.963704 143.8
[M+NH4]+ 258.004803 163.2
[M+K]+ 278.934138 145.4
[M+H-H2O]+ 222.968240 141.5
[M+HCOO]- 284.969181 159.5
[M+CH3COO]- 298.984831 185.6
[M+Na-2H]- 260.945646 148.8
[M]+ 239.97043142 159.5
[M]- 239.97152858 159.5
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

No patent data available for this compound.