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]+ 205.067076 139.6
[M+Na]+ 227.049018 148.0
[M-H]- 203.052524 137.1
[M+NH4]+ 222.093623 157.0
[M+K]+ 243.022958 144.5
[M+H-H2O]+ 187.057060 133.4
[M+HCOO]- 249.058001 156.6
[M+CH3COO]- 263.073651 177.9
[M+Na-2H]- 225.034466 144.5
[M]+ 204.05925142 136.1
[M]- 204.06034858 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