CID 79450787

2-[(2,4-difluorophenyl)methyl]propane-1,3-diol

Structural Information

Molecular Formula
C10H12F2O2
SMILES
C1=CC(=C(C=C1F)F)CC(CO)CO
InChI
InChI=1S/C10H12F2O2/c11-9-2-1-8(10(12)4-9)3-7(5-13)6-14/h1-2,4,7,13-14H,3,5-6H2
InChIKey
CRPUIILHODSBAF-UHFFFAOYSA-N
Compound name
2-[(2,4-difluorophenyl)methyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08054 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08782 144.5
[M+Na]+ 225.06976 154.4
[M+NH4]+ 220.11436 150.7
[M+K]+ 241.04370 149.0
[M-H]- 201.07326 142.5
[M+Na-2H]- 223.05521 148.3
[M]+ 202.07999 145.0
[M]- 202.08109 145.0
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

No patent data available for this compound.