CID 4569339

5,6,7-trichloro-3-phenyl-2h-benzo(e)(1,2,4)thiadiazine

Structural Information

Molecular Formula
C13H7Cl3N2S
SMILES
C1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3SN2)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl3N2S/c14-8-6-9-12(11(16)10(8)15)17-13(18-19-9)7-4-2-1-3-5-7/h1-6H,(H,17,18)
InChIKey
ALYGEKSQPIKGNL-UHFFFAOYSA-N
Compound name
5,6,7-trichloro-3-phenyl-2H-1,2,4-benzothiadiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.93954 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.94682 161.3
[M+Na]+ 350.92876 172.8
[M-H]- 326.93226 163.5
[M+NH4]+ 345.97336 175.4
[M+K]+ 366.90270 164.5
[M+H-H2O]+ 310.93680 155.5
[M+HCOO]- 372.93774 160.3
[M+CH3COO]- 386.95339 171.4
[M+Na-2H]- 348.91421 163.9
[M]+ 327.93899 163.7
[M]- 327.94009 163.7
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.