CID 3008075

6,8-dichloro-3-phenyl-1,3-benzoxazine-2,4-dithione

Structural Information

Molecular Formula
C14H7Cl2NOS2
SMILES
C1=CC=C(C=C1)N2C(=S)C3=C(C(=CC(=C3)Cl)Cl)OC2=S
InChI
InChI=1S/C14H7Cl2NOS2/c15-8-6-10-12(11(16)7-8)18-14(20)17(13(10)19)9-4-2-1-3-5-9/h1-7H
InChIKey
VOXYTQNAQFRCOB-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-phenyl-1,3-benzoxazine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.9346 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.94188 164.6
[M+Na]+ 361.92382 178.7
[M-H]- 337.92732 172.2
[M+NH4]+ 356.96842 179.7
[M+K]+ 377.89776 170.8
[M+H-H2O]+ 321.93186 159.7
[M+HCOO]- 383.93280 167.5
[M+CH3COO]- 397.94845 176.9
[M+Na-2H]- 359.90927 167.2
[M]+ 338.93405 171.5
[M]- 338.93515 171.5
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.