CID 2810890

688002-41-7

Structural Information

Molecular Formula
C12H15NO4S
SMILES
COC1=CC=C(C=C1)C(=O)NC2CCS(=O)(=O)C2
InChI
InChI=1S/C12H15NO4S/c1-17-11-4-2-9(3-5-11)12(14)13-10-6-7-18(15,16)8-10/h2-5,10H,6-8H2,1H3,(H,13,14)
InChIKey
CRRGBVOIPIHHBT-UHFFFAOYSA-N
Compound name
N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

269.07217 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.079446 157.3
[M+Na]+ 292.061388 164.9
[M-H]- 268.064894 164.3
[M+NH4]+ 287.105993 177.5
[M+K]+ 308.035328 162.3
[M+H-H2O]+ 252.069430 151.7
[M+HCOO]- 314.070371 176.5
[M+CH3COO]- 328.086021 193.2
[M+Na-2H]- 290.046836 159.0
[M]+ 269.07162142 159.5
[M]- 269.07271858 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.