CID 339879

Nsc368173

Structural Information

Molecular Formula
C9H13ClO6S
SMILES
CC1(OC2C(C(OC2O1)C3COS(=O)O3)Cl)C
InChI
InChI=1S/C9H13ClO6S/c1-9(2)14-7-5(10)6(13-8(7)15-9)4-3-12-17(11)16-4/h4-8H,3H2,1-2H3
InChIKey
QPZSWIPHRFNRLI-UHFFFAOYSA-N
Compound name
4-(6-chloro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-1,3,2-dioxathiolane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.01215 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.01943 157.9
[M+Na]+ 307.00137 168.2
[M-H]- 283.00487 169.3
[M+NH4]+ 302.04597 177.0
[M+K]+ 322.97531 171.4
[M+H-H2O]+ 267.00941 160.2
[M+HCOO]- 329.01035 166.4
[M+CH3COO]- 343.02600 171.9
[M+Na-2H]- 304.98682 159.4
[M]+ 284.01160 166.3
[M]- 284.01270 166.3
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

No patent data available for this compound.