CID 71755643

2-benzenesulfonamidoethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H10ClNO4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCS(=O)(=O)Cl
InChI
InChI=1S/C8H10ClNO4S2/c9-15(11,12)7-6-10-16(13,14)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
ANWLSTPEYWXYGN-UHFFFAOYSA-N
Compound name
2-(benzenesulfonamido)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.97397 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.981246 157.2
[M+Na]+ 305.963188 165.5
[M-H]- 281.966694 160.8
[M+NH4]+ 301.007793 173.7
[M+K]+ 321.937128 159.7
[M+H-H2O]+ 265.971230 152.3
[M+HCOO]- 327.972171 166.0
[M+CH3COO]- 341.987821 191.1
[M+Na-2H]- 303.948636 162.4
[M]+ 282.97342142 162.1
[M]- 282.97451858 162.1
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.