CID 4962259

2-chloro-1-(3,4-dihydro-2h-1,4-benzothiazin-4-yl)ethan-1-one

Structural Information

Molecular Formula
C10H10ClNOS
SMILES
C1CSC2=CC=CC=C2N1C(=O)CCl
InChI
InChI=1S/C10H10ClNOS/c11-7-10(13)12-5-6-14-9-4-2-1-3-8(9)12/h1-4H,5-7H2
InChIKey
AYFZGNOUGDUMDS-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

227.01717 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02445 143.6
[M+Na]+ 250.00639 151.9
[M-H]- 226.00989 146.5
[M+NH4]+ 245.05099 162.9
[M+K]+ 265.98033 147.3
[M+H-H2O]+ 210.01443 138.2
[M+HCOO]- 272.01537 153.3
[M+CH3COO]- 286.03102 155.8
[M+Na-2H]- 247.99184 147.4
[M]+ 227.01662 145.1
[M]- 227.01772 145.1
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

patents stripe