CID 2080625

Ethyl 4-(5-chlorothiophene-2-sulfonamido)butanoate

Structural Information

Molecular Formula
C10H14ClNO4S2
SMILES
CCOC(=O)CCCNS(=O)(=O)C1=CC=C(S1)Cl
InChI
InChI=1S/C10H14ClNO4S2/c1-2-16-9(13)4-3-7-12-18(14,15)10-6-5-8(11)17-10/h5-6,12H,2-4,7H2,1H3
InChIKey
LFYKARGWNYBPHF-UHFFFAOYSA-N
Compound name
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.00528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01256 168.1
[M+Na]+ 333.99450 175.9
[M-H]- 309.99800 171.8
[M+NH4]+ 329.03910 185.7
[M+K]+ 349.96844 170.8
[M+H-H2O]+ 294.00254 163.4
[M+HCOO]- 356.00348 177.2
[M+CH3COO]- 370.01913 198.5
[M+Na-2H]- 331.97995 167.9
[M]+ 311.00473 175.6
[M]- 311.00583 175.6
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.