CID 4962388

852940-43-3

Structural Information

Molecular Formula
C11H14ClNO3S2
SMILES
C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)CCl
InChI
InChI=1S/C11H14ClNO3S2/c12-6-11(14)13(7-10-2-1-4-17-10)9-3-5-18(15,16)8-9/h1-2,4,9H,3,5-8H2
InChIKey
QYGLEXRUOCVCLE-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.01038 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.01766 169.2
[M+Na]+ 329.99960 177.4
[M-H]- 306.00310 177.5
[M+NH4]+ 325.04420 191.2
[M+K]+ 345.97354 173.6
[M+H-H2O]+ 290.00764 165.6
[M+HCOO]- 352.00858 179.6
[M+CH3COO]- 366.02423 198.7
[M+Na-2H]- 327.98505 167.1
[M]+ 307.00983 174.4
[M]- 307.01093 174.4
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

patents stripe