CID 9821015

(2r,3r)-2-[(benzoyloxy)methyl]-4,4-difluoro-5-oxooxolan-3-yl benzoate

Structural Information

Molecular Formula
C19H14F2O6
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C(C(=O)O2)(F)F)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H14F2O6/c20-19(21)15(27-17(23)13-9-5-2-6-10-13)14(26-18(19)24)11-25-16(22)12-7-3-1-4-8-12/h1-10,14-15H,11H2/t14-,15-/m1/s1
InChIKey
SHHNEUNVMZNOID-HUUCEWRRSA-N
Compound name
[(2R,3R)-3-benzoyloxy-4,4-difluoro-5-oxooxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

376.07584 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08312 182.0
[M+Na]+ 399.06506 189.3
[M-H]- 375.06856 190.1
[M+NH4]+ 394.10966 195.6
[M+K]+ 415.03900 187.7
[M+H-H2O]+ 359.07310 172.7
[M+HCOO]- 421.07404 200.7
[M+CH3COO]- 435.08969 212.6
[M+Na-2H]- 397.05051 182.0
[M]+ 376.07529 183.3
[M]- 376.07639 183.3
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