CID 24689074

5-(2-ethanesulfonamidoethyl)thiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C8H12ClNO4S3
SMILES
CCS(=O)(=O)NCCC1=CC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C8H12ClNO4S3/c1-2-16(11,12)10-6-5-7-3-4-8(15-7)17(9,13)14/h3-4,10H,2,5-6H2,1H3
InChIKey
YTPVOISWMUEDPJ-UHFFFAOYSA-N
Compound name
5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.9617 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.96898 171.1
[M+Na]+ 339.95092 179.7
[M-H]- 315.95442 174.2
[M+NH4]+ 334.99552 187.9
[M+K]+ 355.92486 172.4
[M+H-H2O]+ 299.95896 166.7
[M+HCOO]- 361.95990 174.5
[M+CH3COO]- 375.97555 197.6
[M+Na-2H]- 337.93637 172.6
[M]+ 316.96115 176.1
[M]- 316.96225 176.1
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.