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]+ 240.97826 142.9
[M+Na]+ 262.96020 156.6
[M-H]- 238.96370 143.8
[M+NH4]+ 258.00480 163.2
[M+K]+ 278.93414 145.4
[M+H-H2O]+ 222.96824 141.5
[M+HCOO]- 284.96918 159.5
[M+CH3COO]- 298.98483 185.6
[M+Na-2H]- 260.94565 148.8
[M]+ 239.97043 159.5
[M]- 239.97153 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.