CID 165655083

1-(2-chloro-6-methylpyridin-4-yl)-2-fluoroethan-1-ol

Structural Information

Molecular Formula
C8H9ClFNO
SMILES
CC1=CC(=CC(=N1)Cl)C(CF)O
InChI
InChI=1S/C8H9ClFNO/c1-5-2-6(7(12)4-10)3-8(9)11-5/h2-3,7,12H,4H2,1H3
InChIKey
ITHMTKLLZOCNQL-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylpyridin-4-yl)-2-fluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.03568 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04296 134.2
[M+Na]+ 212.02490 144.0
[M-H]- 188.02840 134.2
[M+NH4]+ 207.06950 153.2
[M+K]+ 227.99884 139.9
[M+H-H2O]+ 172.03294 128.3
[M+HCOO]- 234.03388 149.9
[M+CH3COO]- 248.04953 180.0
[M+Na-2H]- 210.01035 138.9
[M]+ 189.03513 134.7
[M]- 189.03623 134.7
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.