CID 3008078

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

Structural Information

Molecular Formula
C14H6Cl3NOS2
SMILES
C1=CC(=CC=C1N2C(=S)C3=C(C(=CC(=C3)Cl)Cl)OC2=S)Cl
InChI
InChI=1S/C14H6Cl3NOS2/c15-7-1-3-9(4-2-7)18-13(20)10-5-8(16)6-11(17)12(10)19-14(18)21/h1-6H
InChIKey
ZTIHASGBAAEGMT-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-(4-chlorophenyl)-1,3-benzoxazine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.89563 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.90291 169.9
[M+Na]+ 395.88485 184.0
[M-H]- 371.88835 176.6
[M+NH4]+ 390.92945 183.8
[M+K]+ 411.85879 176.3
[M+H-H2O]+ 355.89289 165.8
[M+HCOO]- 417.89383 167.5
[M+CH3COO]- 431.90948 181.1
[M+Na-2H]- 393.87030 170.8
[M]+ 372.89508 177.0
[M]- 372.89618 177.0
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.