CID 117741

26138-98-7

Structural Information

Molecular Formula
C11H12N2O5S
SMILES
CC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C11H12N2O5S/c1-7(14)11(8(2)15)13-12-9-3-5-10(6-4-9)19(16,17)18/h3-6,11H,1-2H3,(H,16,17,18)
InChIKey
IUYXGGNAXAHJMQ-UHFFFAOYSA-N
Compound name
4-(2,4-dioxopentan-3-yldiazenyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

284.0467 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.05398 160.8
[M+Na]+ 307.03592 168.2
[M+NH4]+ 302.08052 165.3
[M+K]+ 323.00986 164.4
[M-H]- 283.03942 160.0
[M+Na-2H]- 305.02137 164.2
[M]+ 284.04615 161.6
[M]- 284.04725 161.6
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.