CID 5012075

1-(2,6-difluorophenyl)ethanol

Structural Information

Molecular Formula
C8H8F2O
SMILES
CC(C1=C(C=CC=C1F)F)O
InChI
InChI=1S/C8H8F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
InChIKey
SIYWDKQSSDBLOA-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

158.05432 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06160 132.5
[M+Na]+ 181.04354 143.8
[M+NH4]+ 176.08814 139.9
[M+K]+ 197.01748 138.0
[M-H]- 157.04704 131.6
[M+Na-2H]- 179.02899 137.8
[M]+ 158.05377 133.6
[M]- 158.05487 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe