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]+ 257.998606 148.4
[M+Na]+ 279.980548 157.3
[M-H]- 255.984054 149.1
[M+NH4]+ 275.025153 165.3
[M+K]+ 295.954488 151.6
[M+H-H2O]+ 239.988590 144.0
[M+HCOO]- 301.989531 155.7
[M+CH3COO]- 316.005181 186.6
[M+Na-2H]- 277.965996 150.5
[M]+ 256.99078142 149.3
[M]- 256.99187858 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.