CID 502235

(2r,3s,5r)-5-(2,4-difluoro-5-methyl-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C12H14F2O3
SMILES
CC1=CC(=C(C=C1F)F)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H14F2O3/c1-6-2-7(9(14)3-8(6)13)11-4-10(16)12(5-15)17-11/h2-3,10-12,15-16H,4-5H2,1H3/t10-,11+,12+/m0/s1
InChIKey
VZSIWTWOIQVYAZ-QJPTWQEYSA-N
Compound name
(2R,3S,5R)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

244.0911 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09838 150.4
[M+Na]+ 267.08032 159.6
[M-H]- 243.08382 153.4
[M+NH4]+ 262.12492 167.8
[M+K]+ 283.05426 156.6
[M+H-H2O]+ 227.08836 143.6
[M+HCOO]- 289.08930 167.9
[M+CH3COO]- 303.10495 189.1
[M+Na-2H]- 265.06577 150.6
[M]+ 244.09055 147.7
[M]- 244.09165 147.7
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

No patent data available for this compound.