CID 139559644

2-(6-bromopyridin-3-yl)-2,2-difluoroethan-1-ol

Structural Information

Molecular Formula
C7H6BrF2NO
SMILES
C1=CC(=NC=C1C(CO)(F)F)Br
InChI
InChI=1S/C7H6BrF2NO/c8-6-2-1-5(3-11-6)7(9,10)4-12/h1-3,12H,4H2
InChIKey
LUZQRXWOKPNLBE-UHFFFAOYSA-N
Compound name
2-(6-bromopyridin-3-yl)-2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.96008 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.96736 141.3
[M+Na]+ 259.94930 153.5
[M-H]- 235.95280 142.9
[M+NH4]+ 254.99390 160.9
[M+K]+ 275.92324 142.0
[M+H-H2O]+ 219.95734 140.0
[M+HCOO]- 281.95828 158.0
[M+CH3COO]- 295.97393 184.6
[M+Na-2H]- 257.93475 149.5
[M]+ 236.95953 156.8
[M]- 236.96063 156.8
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