CID 14417919

144909-39-7

Structural Information

Molecular Formula
C20H22Cl2O10S2
SMILES
C1COC2=C(C=C(C=C2)S(=O)(=O)Cl)OCCOCCOC3=C(C=CC(=C3)S(=O)(=O)Cl)OCCO1
InChI
InChI=1S/C20H22Cl2O10S2/c21-33(23,24)15-1-3-17-19(13-15)31-11-7-28-8-12-32-20-14-16(34(22,25)26)2-4-18(20)30-10-6-27-5-9-29-17/h1-4,13-14H,5-12H2
InChIKey
KZMYFLPILKADNK-UHFFFAOYSA-N
Compound name
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,25-disulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.0032 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.01048 206.0
[M+Na]+ 578.99242 216.7
[M+NH4]+ 574.03702 209.4
[M+K]+ 594.96636 211.2
[M-H]- 554.99592 213.7
[M+Na-2H]- 576.97787 207.5
[M]+ 556.00265 210.9
[M]- 556.00375 210.9
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.