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

3
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 139.6
[M+Na]+ 235.99880 151.5
[M+NH4]+ 231.04340 149.2
[M+K]+ 251.97274 142.7
[M-H]- 212.00230 142.8
[M+Na-2H]- 233.98425 146.1
[M]+ 213.00903 142.7
[M]- 213.01013 142.7
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