CID 16218075

6-chloroacetyl-2h-1,4-benzothiazin-3(4h)-one

Structural Information

Molecular Formula
C10H8ClNO2S
SMILES
C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)CCl
InChI
InChI=1S/C10H8ClNO2S/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5H2,(H,12,14)
InChIKey
YDYLPMPVYALQKQ-UHFFFAOYSA-N
Compound name
6-(2-chloroacetyl)-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

240.99643 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00371 145.6
[M+Na]+ 263.98565 154.4
[M-H]- 239.98915 147.4
[M+NH4]+ 259.03025 163.7
[M+K]+ 279.95959 148.8
[M+H-H2O]+ 223.99369 140.8
[M+HCOO]- 285.99463 154.2
[M+CH3COO]- 300.01028 185.6
[M+Na-2H]- 261.97110 148.6
[M]+ 240.99588 146.5
[M]- 240.99698 146.5
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

patents stripe