CID 74595

P-benzoquinone o-(phenylsulfonyl)oxime

Structural Information

Molecular Formula
C12H9NO4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=O)C=C2
InChI
InChI=1S/C12H9NO4S/c14-11-8-6-10(7-9-11)13-17-18(15,16)12-4-2-1-3-5-12/h1-9H
InChIKey
JOSADQDTFOIECX-UHFFFAOYSA-N
Compound name
[(4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

263.02524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.032516 154.5
[M+Na]+ 286.014458 162.8
[M-H]- 262.017964 162.9
[M+NH4]+ 281.059063 171.5
[M+K]+ 301.988398 159.6
[M+H-H2O]+ 246.022500 147.1
[M+HCOO]- 308.023441 175.5
[M+CH3COO]- 322.039091 193.4
[M+Na-2H]- 283.999906 160.8
[M]+ 263.02469142 157.5
[M]- 263.02578858 157.5
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

patents stripe