CID 118064598

2-(5-bromo-2-fluoropyridin-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H7BrFNO
SMILES
C1=C(C(=CN=C1F)Br)CCO
InChI
InChI=1S/C7H7BrFNO/c8-6-4-10-7(9)3-5(6)1-2-11/h3-4,11H,1-2H2
InChIKey
NOJGDQQJWURRTM-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-fluoro-4-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.9695 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.976776 135.6
[M+Na]+ 241.958718 148.3
[M-H]- 217.962224 138.5
[M+NH4]+ 237.003323 156.2
[M+K]+ 257.932658 136.9
[M+H-H2O]+ 201.966760 134.9
[M+HCOO]- 263.967701 154.8
[M+CH3COO]- 277.983351 182.8
[M+Na-2H]- 239.944166 143.4
[M]+ 218.96895142 153.1
[M]- 218.97004858 153.1
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