CID 255077

79128-44-2

Structural Information

Molecular Formula
C10H12ClNS
SMILES
C1CNC(SC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClNS/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10,12H,1,6-7H2
InChIKey
QTUGKOYWNCJYIX-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0379 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04518 142.1
[M+Na]+ 236.02712 149.0
[M-H]- 212.03062 145.5
[M+NH4]+ 231.07172 160.0
[M+K]+ 252.00106 143.2
[M+H-H2O]+ 196.03516 136.1
[M+HCOO]- 258.03610 151.1
[M+CH3COO]- 272.05175 153.5
[M+Na-2H]- 234.01257 144.6
[M]+ 213.03735 138.8
[M]- 213.03845 138.8
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.