CID 11217952

2-(2,4-difluorophenyl)propane-1,2,3-triol

Structural Information

Molecular Formula
C9H10F2O3
SMILES
C1=CC(=C(C=C1F)F)C(CO)(CO)O
InChI
InChI=1S/C9H10F2O3/c10-6-1-2-7(8(11)3-6)9(14,4-12)5-13/h1-3,12-14H,4-5H2
InChIKey
ZHVKNFSTIAMHSM-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)propane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

204.0598 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06708 139.6
[M+Na]+ 227.04902 148.0
[M-H]- 203.05252 137.1
[M+NH4]+ 222.09362 157.0
[M+K]+ 243.02296 144.5
[M+H-H2O]+ 187.05706 133.4
[M+HCOO]- 249.05800 156.6
[M+CH3COO]- 263.07365 177.9
[M+Na-2H]- 225.03447 144.5
[M]+ 204.05925 136.1
[M]- 204.06035 136.1
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