CID 24689365

5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C8H10ClNO3S2
SMILES
CC(C1=CC=C(S1)S(=O)(=O)Cl)NC(=O)C
InChI
InChI=1S/C8H10ClNO3S2/c1-5(10-6(2)11)7-3-4-8(14-7)15(9,12)13/h3-5H,1-2H3,(H,10,11)
InChIKey
VWYNRXTXBQRGJY-UHFFFAOYSA-N
Compound name
5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.97906 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.98634 156.3
[M+Na]+ 289.96828 164.9
[M-H]- 265.97178 160.5
[M+NH4]+ 285.01288 175.7
[M+K]+ 305.94222 160.2
[M+H-H2O]+ 249.97632 152.2
[M+HCOO]- 311.97726 164.7
[M+CH3COO]- 325.99291 191.5
[M+Na-2H]- 287.95373 155.7
[M]+ 266.97851 161.3
[M]- 266.97961 161.3
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.