CID 11622491

903891-96-3

Structural Information

Molecular Formula
C8H6N2O2S
SMILES
C1=CC=C2C(=C1)N=C(C(=O)S2)NO
InChI
InChI=1S/C8H6N2O2S/c11-8-7(10-12)9-5-3-1-2-4-6(5)13-8/h1-4,12H,(H,9,10)
InChIKey
XGDUYBWNEVQFRU-UHFFFAOYSA-N
Compound name
3-(hydroxyamino)-1,4-benzothiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.015 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02228 133.6
[M+Na]+ 217.00422 143.9
[M-H]- 193.00772 136.3
[M+NH4]+ 212.04882 152.7
[M+K]+ 232.97816 139.7
[M+H-H2O]+ 177.01226 127.6
[M+HCOO]- 239.01320 152.1
[M+CH3COO]- 253.02885 147.1
[M+Na-2H]- 214.98967 141.4
[M]+ 194.01445 135.1
[M]- 194.01555 135.1
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

No patent data available for this compound.