CID 20112768

4-ethanesulfonamido-2-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H12ClNO5S2
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)S(=O)(=O)Cl)OC
InChI
InChI=1S/C9H12ClNO5S2/c1-3-17(12,13)11-7-4-5-9(18(10,14)15)8(6-7)16-2/h4-6,11H,3H2,1-2H3
InChIKey
UBCGHZPMTDWKES-UHFFFAOYSA-N
Compound name
4-(ethylsulfonylamino)-2-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.98453 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.99181 163.0
[M+Na]+ 335.97375 172.0
[M-H]- 311.97725 167.0
[M+NH4]+ 331.01835 178.7
[M+K]+ 351.94769 166.6
[M+H-H2O]+ 295.98179 158.1
[M+HCOO]- 357.98273 171.6
[M+CH3COO]- 371.99838 198.6
[M+Na-2H]- 333.95920 167.1
[M]+ 312.98398 170.4
[M]- 312.98508 170.4
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.