CID 2757559

2-(3-chloro-4-fluorophenyl)ethanol

Structural Information

Molecular Formula
C8H8ClFO
SMILES
C1=CC(=C(C=C1CCO)Cl)F
InChI
InChI=1S/C8H8ClFO/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5,11H,3-4H2
InChIKey
ZLWGTYVDMGWYEM-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

174.02477 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03205 130.6
[M+Na]+ 197.01399 144.2
[M+NH4]+ 192.05859 139.5
[M+K]+ 212.98793 136.9
[M-H]- 173.01749 131.6
[M+Na-2H]- 194.99944 137.6
[M]+ 174.02422 133.0
[M]- 174.02532 133.0
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

patents stripe