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]+ 228.024446 143.6
[M+Na]+ 250.006388 151.9
[M-H]- 226.009894 146.5
[M+NH4]+ 245.050993 162.9
[M+K]+ 265.980328 147.3
[M+H-H2O]+ 210.014430 138.2
[M+HCOO]- 272.015371 153.3
[M+CH3COO]- 286.031021 155.8
[M+Na-2H]- 247.991836 147.4
[M]+ 227.01662142 145.1
[M]- 227.01771858 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