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

10
Patents

263.02524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.03252 154.5
[M+Na]+ 286.01446 162.8
[M-H]- 262.01796 162.9
[M+NH4]+ 281.05906 171.5
[M+K]+ 301.98840 159.6
[M+H-H2O]+ 246.02250 147.1
[M+HCOO]- 308.02344 175.5
[M+CH3COO]- 322.03909 193.4
[M+Na-2H]- 283.99991 160.8
[M]+ 263.02469 157.5
[M]- 263.02579 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