CID 3061420

2-(3,4-dichlorophenyl)tetrahydro-2h-1,3-thiazine hydrochloride

Structural Information

Molecular Formula
C10H11Cl2NS
SMILES
C1CNC(SC1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2NS/c11-8-3-2-7(6-9(8)12)10-13-4-1-5-14-10/h2-3,6,10,13H,1,4-5H2
InChIKey
BIBNZWBSIFDROT-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.99893 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00621 147.4
[M+Na]+ 269.98815 155.3
[M-H]- 245.99165 150.5
[M+NH4]+ 265.03275 164.6
[M+K]+ 285.96209 148.6
[M+H-H2O]+ 229.99619 142.3
[M+HCOO]- 291.99713 151.3
[M+CH3COO]- 306.01278 158.3
[M+Na-2H]- 267.97360 148.6
[M]+ 246.99838 145.5
[M]- 246.99948 145.5
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

No patent data available for this compound.