CID 2779790

465514-13-0

Structural Information

Molecular Formula
C10H12ClNO5S2
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H12ClNO5S2/c11-18(13,14)9-1-3-10(4-2-9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2
InChIKey
ZZSBUDUHESWZJB-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

324.98453 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99181 165.4
[M+Na]+ 347.97375 173.2
[M-H]- 323.97725 171.2
[M+NH4]+ 343.01835 177.9
[M+K]+ 363.94769 169.4
[M+H-H2O]+ 307.98179 159.9
[M+HCOO]- 369.98273 168.9
[M+CH3COO]- 383.99838 195.3
[M+Na-2H]- 345.95920 170.1
[M]+ 324.98398 168.3
[M]- 324.98508 168.3
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