CID 69492305

4-(2,2-difluoroethyl)phenol

Structural Information

Molecular Formula
C8H8F2O
SMILES
C1=CC(=CC=C1CC(F)F)O
InChI
InChI=1S/C8H8F2O/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5H2
InChIKey
SXLLRJWJRUCKQH-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

158.05432 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06160 132.4
[M+Na]+ 181.04354 143.3
[M+NH4]+ 176.08814 139.8
[M+K]+ 197.01748 137.4
[M-H]- 157.04704 131.4
[M+Na-2H]- 179.02899 137.9
[M]+ 158.05377 133.4
[M]- 158.05487 133.4
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

patents stripe