CID 485506

6-chloro-3-p-tolyl-benzo[e][1,3]oxazine-2,4-dithione

Structural Information

Molecular Formula
C15H10ClNOS2
SMILES
CC1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Cl)OC2=S
InChI
InChI=1S/C15H10ClNOS2/c1-9-2-5-11(6-3-9)17-14(19)12-8-10(16)4-7-13(12)18-15(17)20/h2-8H,1H3
InChIKey
ORROZQLKTVVETA-UHFFFAOYSA-N
Compound name
6-chloro-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.98923 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.99651 163.5
[M+Na]+ 341.97845 177.3
[M-H]- 317.98195 171.6
[M+NH4]+ 337.02305 179.0
[M+K]+ 357.95239 169.6
[M+H-H2O]+ 301.98649 157.7
[M+HCOO]- 363.98743 171.0
[M+CH3COO]- 378.00308 176.2
[M+Na-2H]- 339.96390 166.3
[M]+ 318.98868 169.8
[M]- 318.98978 169.8
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.