CID 146155763

2416218-60-3

Structural Information

Molecular Formula
C7H6ClF2NO
SMILES
C1=C(C=NC(=C1[C@H](CF)O)F)Cl
InChI
InChI=1S/C7H6ClF2NO/c8-4-1-5(6(12)2-9)7(10)11-3-4/h1,3,6,12H,2H2/t6-/m0/s1
InChIKey
OLAJPBUSGGWSNY-LURJTMIESA-N
Compound name
(1R)-1-(5-chloro-2-fluoropyridin-3-yl)-2-fluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0106 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.01788 131.6
[M+Na]+ 215.99982 141.9
[M-H]- 192.00332 130.3
[M+NH4]+ 211.04442 150.3
[M+K]+ 231.97376 137.6
[M+H-H2O]+ 176.00786 124.9
[M+HCOO]- 238.00880 146.6
[M+CH3COO]- 252.02445 179.7
[M+Na-2H]- 213.98527 136.3
[M]+ 193.01005 130.7
[M]- 193.01115 130.7
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.