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-fluoro-4-pyridinyl)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]+ 176.027296 129.6
[M+Na]+ 198.009238 140.1
[M-H]- 174.012744 129.6
[M+NH4]+ 193.053843 149.2
[M+K]+ 213.983178 135.9
[M+H-H2O]+ 158.017280 123.8
[M+HCOO]- 220.018221 146.6
[M+CH3COO]- 234.033871 176.1
[M+Na-2H]- 195.994686 136.1
[M]+ 175.01947142 130.4
[M]- 175.02056858 130.4
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.