CID 485505

6-chloro-3-phenyl-1,3-benzoxazine-2,4-dithione

Structural Information

Molecular Formula
C14H8ClNOS2
SMILES
C1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Cl)OC2=S
InChI
InChI=1S/C14H8ClNOS2/c15-9-6-7-12-11(8-9)13(18)16(14(19)17-12)10-4-2-1-3-5-10/h1-8H
InChIKey
QOJWWTHTAUICEM-UHFFFAOYSA-N
Compound name
6-chloro-3-phenyl-1,3-benzoxazine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.97357 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.98085 159.2
[M+Na]+ 327.96279 172.7
[M-H]- 303.96629 167.1
[M+NH4]+ 323.00739 175.0
[M+K]+ 343.93673 165.2
[M+H-H2O]+ 287.97083 153.4
[M+HCOO]- 349.97177 167.1
[M+CH3COO]- 363.98742 172.0
[M+Na-2H]- 325.94824 163.1
[M]+ 304.97302 164.7
[M]- 304.97412 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.