CID 6481705

6-chloro-4h-1,4-benzothiazin-3-one oxime

Structural Information

Molecular Formula
C8H7ClN2OS
SMILES
C1C(=NC2=C(S1)C=CC(=C2)Cl)NO
InChI
InChI=1S/C8H7ClN2OS/c9-5-1-2-7-6(3-5)10-8(11-12)4-13-7/h1-3,12H,4H2,(H,10,11)
InChIKey
YGXIOOMVEJMLJK-UHFFFAOYSA-N
Compound name
N-(6-chloro-2H-1,4-benzothiazin-3-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.99677 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00405 137.5
[M+Na]+ 236.98599 147.3
[M-H]- 212.98949 139.8
[M+NH4]+ 232.03059 156.8
[M+K]+ 252.95993 142.0
[M+H-H2O]+ 196.99403 132.7
[M+HCOO]- 258.99497 149.7
[M+CH3COO]- 273.01062 150.3
[M+Na-2H]- 234.97144 144.0
[M]+ 213.99622 138.9
[M]- 213.99732 138.9
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.