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]+ 214.01686 136.3
[M+Na]+ 235.99880 146.2
[M-H]- 212.00230 142.1
[M+NH4]+ 231.04340 157.1
[M+K]+ 251.97274 144.7
[M+H-H2O]+ 196.00684 131.3
[M+HCOO]- 258.00778 154.6
[M+CH3COO]- 272.02343 182.4
[M+Na-2H]- 233.98425 145.2
[M]+ 213.00903 138.8
[M]- 213.01013 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