CID 16217028

352530-47-3

Structural Information

Molecular Formula
C17H21ClO6
SMILES
CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)COCC3=CC=CC=C3)OC(=O)CCl)C
InChI
InChI=1S/C17H21ClO6/c1-17(2)23-15-14(22-13(19)8-18)12(21-16(15)24-17)10-20-9-11-6-4-3-5-7-11/h3-7,12,14-16H,8-10H2,1-2H3/t12-,14+,15-,16-/m1/s1
InChIKey
ZPRVBHKLXAPLQI-SLBVQIDZSA-N
Compound name
[(3aR,5R,6S,6aR)-2,2-dimethyl-5-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10266 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10994 180.9
[M+Na]+ 379.09188 188.5
[M-H]- 355.09538 190.2
[M+NH4]+ 374.13648 197.1
[M+K]+ 395.06582 188.6
[M+H-H2O]+ 339.09992 177.3
[M+HCOO]- 401.10086 194.0
[M+CH3COO]- 415.11651 208.9
[M+Na-2H]- 377.07733 182.6
[M]+ 356.10211 189.7
[M]- 356.10321 189.7
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.