CID 146155227

2-(2-chloro-3-fluoropyridin-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H7ClFNO
SMILES
C1=CN=C(C(=C1CCO)F)Cl
InChI
InChI=1S/C7H7ClFNO/c8-7-6(9)5(2-4-11)1-3-10-7/h1,3,11H,2,4H2
InChIKey
XHINIDQZYFLYIP-UHFFFAOYSA-N
Compound name
2-(2-chloro-3-fluoropyridin-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.02002 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02730 130.4
[M+Na]+ 198.00924 144.0
[M+NH4]+ 193.05384 138.6
[M+K]+ 213.98318 137.2
[M-H]- 174.01274 130.5
[M+Na-2H]- 195.99469 137.2
[M]+ 175.01947 132.6
[M]- 175.02057 132.6
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.