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]+ 195.022276 133.6
[M+Na]+ 217.004218 143.9
[M-H]- 193.007724 136.3
[M+NH4]+ 212.048823 152.7
[M+K]+ 232.978158 139.7
[M+H-H2O]+ 177.012260 127.6
[M+HCOO]- 239.013201 152.1
[M+CH3COO]- 253.028851 147.1
[M+Na-2H]- 214.989666 141.4
[M]+ 194.01445142 135.1
[M]- 194.01554858 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.