CID 24688489

4-[(propane-1-sulfonamido)methyl]benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H14ClNO4S2
SMILES
CCCS(=O)(=O)NCC1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H14ClNO4S2/c1-2-7-17(13,14)12-8-9-3-5-10(6-4-9)18(11,15)16/h3-6,12H,2,7-8H2,1H3
InChIKey
UVTWTLUVLMNEKY-UHFFFAOYSA-N
Compound name
4-[(propylsulfonylamino)methyl]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.00528 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01256 165.0
[M+Na]+ 333.99450 173.2
[M-H]- 309.99800 168.6
[M+NH4]+ 329.03910 180.7
[M+K]+ 349.96844 167.0
[M+H-H2O]+ 294.00254 159.9
[M+HCOO]- 356.00348 173.1
[M+CH3COO]- 370.01913 198.2
[M+Na-2H]- 331.97995 168.8
[M]+ 311.00473 171.0
[M]- 311.00583 171.0
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.