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]+ 283.98125 157.2
[M+Na]+ 305.96319 165.5
[M-H]- 281.96669 160.8
[M+NH4]+ 301.00779 173.7
[M+K]+ 321.93713 159.7
[M+H-H2O]+ 265.97123 152.3
[M+HCOO]- 327.97217 166.0
[M+CH3COO]- 341.98782 191.1
[M+Na-2H]- 303.94864 162.4
[M]+ 282.97342 162.1
[M]- 282.97452 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.