CID 16228339

4-methyl-3-(morpholine-4-sulfonyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H14ClNO5S2
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)Cl)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C11H14ClNO5S2/c1-9-2-3-10(19(12,14)15)8-11(9)20(16,17)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3
InChIKey
TYFCEWCLVSHJOH-UHFFFAOYSA-N
Compound name
4-methyl-3-morpholin-4-ylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.00018 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00746 169.3
[M+Na]+ 361.98940 177.3
[M-H]- 337.99290 175.1
[M+NH4]+ 357.03400 181.4
[M+K]+ 377.96334 173.4
[M+H-H2O]+ 321.99744 163.7
[M+HCOO]- 383.99838 172.3
[M+CH3COO]- 398.01403 199.4
[M+Na-2H]- 359.97485 172.9
[M]+ 338.99963 172.9
[M]- 339.00073 172.9
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.