CID 3008077

6,8-dichloro-3-(p-tolyl)-1,3-benzoxazine-2,4-dithione

Structural Information

Molecular Formula
C15H9Cl2NOS2
SMILES
CC1=CC=C(C=C1)N2C(=S)C3=C(C(=CC(=C3)Cl)Cl)OC2=S
InChI
InChI=1S/C15H9Cl2NOS2/c1-8-2-4-10(5-3-8)18-14(20)11-6-9(16)7-12(17)13(11)19-15(18)21/h2-7H,1H3
InChIKey
FKPHBISTHOMACK-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

352.95026 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.95754 168.9
[M+Na]+ 375.93948 183.3
[M-H]- 351.94298 176.7
[M+NH4]+ 370.98408 183.7
[M+K]+ 391.91342 175.2
[M+H-H2O]+ 335.94752 164.0
[M+HCOO]- 397.94846 171.4
[M+CH3COO]- 411.96411 181.0
[M+Na-2H]- 373.92493 170.4
[M]+ 352.94971 176.5
[M]- 352.95081 176.5
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.