CID 106534656

1-(3,5-difluorophenyl)ethane-1,2-diol

Structural Information

Molecular Formula
C8H8F2O2
SMILES
C1=C(C=C(C=C1F)F)C(CO)O
InChI
InChI=1S/C8H8F2O2/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,8,11-12H,4H2
InChIKey
NJTFFIYTPAUELW-UHFFFAOYSA-N
Compound name
1-(3,5-difluorophenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.04924 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05652 135.7
[M+Na]+ 197.03846 145.9
[M+NH4]+ 192.08306 142.2
[M+K]+ 213.01240 141.0
[M-H]- 173.04196 133.7
[M+Na-2H]- 195.02391 139.9
[M]+ 174.04869 136.2
[M]- 174.04979 136.2
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