CID 9793891

129973-51-9

Structural Information

Molecular Formula
C8H8F2O
SMILES
C1=CC=C(C=C1)C(CO)(F)F
InChI
InChI=1S/C8H8F2O/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKey
XKGODUKBPIRBOF-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

158.05432 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06160 128.4
[M+Na]+ 181.04354 136.4
[M-H]- 157.04704 128.2
[M+NH4]+ 176.08814 148.6
[M+K]+ 197.01748 133.9
[M+H-H2O]+ 141.05158 121.9
[M+HCOO]- 203.05252 148.4
[M+CH3COO]- 217.06817 173.5
[M+Na-2H]- 179.02899 136.2
[M]+ 158.05377 124.7
[M]- 158.05487 124.7
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