CID 129919063

2-(2,6-difluoropyridin-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H7F2NO
SMILES
C1=C(C=C(N=C1F)F)CCO
InChI
InChI=1S/C7H7F2NO/c8-6-3-5(1-2-11)4-7(9)10-6/h3-4,11H,1-2H2
InChIKey
UMOQVLLNINHOTB-UHFFFAOYSA-N
Compound name
2-(2,6-difluoropyridin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04958 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05686 127.3
[M+Na]+ 182.03880 137.1
[M-H]- 158.04230 126.1
[M+NH4]+ 177.08340 146.6
[M+K]+ 198.01274 134.3
[M+H-H2O]+ 142.04684 119.8
[M+HCOO]- 204.04778 147.8
[M+CH3COO]- 218.06343 175.0
[M+Na-2H]- 180.02425 133.6
[M]+ 159.04903 125.0
[M]- 159.05013 125.0
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.