CID 2772171

392314-55-5

Structural Information

Molecular Formula
C12H12ClNO3S
SMILES
C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C12H12ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-7,11H,8-9H2
InChIKey
BEWCQLPDQMWGKR-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.02264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.02992 160.5
[M+Na]+ 308.01186 169.3
[M-H]- 284.01536 169.2
[M+NH4]+ 303.05646 181.5
[M+K]+ 323.98580 165.6
[M+H-H2O]+ 268.01990 155.4
[M+HCOO]- 330.02084 176.9
[M+CH3COO]- 344.03649 196.6
[M+Na-2H]- 305.99731 162.2
[M]+ 285.02209 165.5
[M]- 285.02319 165.5
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