CID 2828745

4-benzoylamino-5,5-dimethyl-1,2-dithiolan-3-one

Structural Information

Molecular Formula
C12H13NO2S2
SMILES
CC1(C(C(=O)SS1)NC(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C12H13NO2S2/c1-12(2)9(11(15)16-17-12)13-10(14)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,13,14)
InChIKey
SYXLDBBQAZHBJL-UHFFFAOYSA-N
Compound name
N-(3,3-dimethyl-5-oxodithiolan-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.03876 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04604 157.3
[M+Na]+ 290.02798 166.6
[M+NH4]+ 285.07258 167.3
[M+K]+ 306.00192 157.1
[M-H]- 266.03148 160.7
[M+Na-2H]- 288.01343 163.8
[M]+ 267.03821 160.5
[M]- 267.03931 160.5
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

No patent data available for this compound.