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 129.6
[M+Na]+ 198.00924 140.1
[M-H]- 174.01274 129.6
[M+NH4]+ 193.05384 149.2
[M+K]+ 213.98318 135.9
[M+H-H2O]+ 158.01728 123.8
[M+HCOO]- 220.01822 146.6
[M+CH3COO]- 234.03387 176.1
[M+Na-2H]- 195.99469 136.1
[M]+ 175.01947 130.4
[M]- 175.02057 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.