CID 272971

4'-(p-benzoquinonylsulfonyl)acetanilide

Structural Information

Molecular Formula
C14H11NO5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC(=O)C=CC2=O
InChI
InChI=1S/C14H11NO5S/c1-9(16)15-10-2-5-12(6-3-10)21(19,20)14-8-11(17)4-7-13(14)18/h2-8H,1H3,(H,15,16)
InChIKey
YMJDSXVYFANYJR-UHFFFAOYSA-N
Compound name
N-[4-(3,6-dioxocyclohexa-1,4-dien-1-yl)sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0358 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04308 165.7
[M+Na]+ 328.02502 176.9
[M+NH4]+ 323.06962 171.4
[M+K]+ 343.99896 170.7
[M-H]- 304.02852 167.5
[M+Na-2H]- 326.01047 171.8
[M]+ 305.03525 168.0
[M]- 305.03635 168.0
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.