CID 73154319

Dtxsid501253592

Structural Information

Molecular Formula
C8H7NO4S
SMILES
C1C(=NO)C2=CC=CC=C2OS1(=O)=O
InChI
InChI=1S/C8H7NO4S/c10-9-7-5-14(11,12)13-8-4-2-1-3-6(7)8/h1-4,10H,5H2
InChIKey
RLYYSFFENVLPTA-UHFFFAOYSA-N
Compound name
N-(2,2-dioxo-1,2lambda6-benzoxathiin-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

213.00958 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.016856 136.3
[M+Na]+ 235.998798 146.2
[M-H]- 212.002304 142.1
[M+NH4]+ 231.043403 157.1
[M+K]+ 251.972738 144.7
[M+H-H2O]+ 196.006840 131.3
[M+HCOO]- 258.007781 154.6
[M+CH3COO]- 272.023431 182.4
[M+Na-2H]- 233.984246 145.2
[M]+ 213.00903142 138.8
[M]- 213.01012858 138.8
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