CID 40542070

Acetamide, n-(3-((phenylsulfonyl)oxy)phenyl)-

Structural Information

Molecular Formula
C14H13NO4S
SMILES
CC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO4S/c1-11(16)15-12-6-5-7-13(10-12)19-20(17,18)14-8-3-2-4-9-14/h2-10H,1H3,(H,15,16)
InChIKey
OOUMZGSRDJTYQB-UHFFFAOYSA-N
Compound name
(3-acetamidophenyl) benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

291.05652 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06380 163.3
[M+Na]+ 314.04574 170.5
[M-H]- 290.04924 170.2
[M+NH4]+ 309.09034 178.5
[M+K]+ 330.01968 167.0
[M+H-H2O]+ 274.05378 155.7
[M+HCOO]- 336.05472 182.3
[M+CH3COO]- 350.07037 198.3
[M+Na-2H]- 312.03119 168.1
[M]+ 291.05597 166.5
[M]- 291.05707 166.5
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.