CID 16227210

2-(6-chloro-3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl)acetic acid

Structural Information

Molecular Formula
C10H8ClNO3S
SMILES
C1=CC2=C(C=C1Cl)NC(=O)C(S2)CC(=O)O
InChI
InChI=1S/C10H8ClNO3S/c11-5-1-2-7-6(3-5)12-10(15)8(16-7)4-9(13)14/h1-3,8H,4H2,(H,12,15)(H,13,14)
InChIKey
SKBFAHZHLILURA-UHFFFAOYSA-N
Compound name
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.99133 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99861 148.4
[M+Na]+ 279.98055 157.3
[M-H]- 255.98405 149.1
[M+NH4]+ 275.02515 165.3
[M+K]+ 295.95449 151.6
[M+H-H2O]+ 239.98859 144.0
[M+HCOO]- 301.98953 155.7
[M+CH3COO]- 316.00518 186.6
[M+Na-2H]- 277.96600 150.5
[M]+ 256.99078 149.3
[M]- 256.99188 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.