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-fluoropyridin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.9695 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97678 135.6
[M+Na]+ 241.95872 148.3
[M-H]- 217.96222 138.5
[M+NH4]+ 237.00332 156.2
[M+K]+ 257.93266 136.9
[M+H-H2O]+ 201.96676 134.9
[M+HCOO]- 263.96770 154.8
[M+CH3COO]- 277.98335 182.8
[M+Na-2H]- 239.94417 143.4
[M]+ 218.96895 153.1
[M]- 218.97005 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