CID 472022

214916-36-6

Structural Information

Molecular Formula
C13H10Cl2N2O3S2
SMILES
CN1C2=CSC=C2S(=O)(=O)N(C1=O)CC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C13H10Cl2N2O3S2/c1-16-11-6-21-7-12(11)22(19,20)17(13(16)18)5-8-9(14)3-2-4-10(8)15/h2-4,6-7H,5H2,1H3
InChIKey
NZQCIMMMJGUFGM-UHFFFAOYSA-N
Compound name
2-[(2,6-dichlorophenyl)methyl]-4-methyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.951 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.95828 174.0
[M+Na]+ 398.94022 187.6
[M-H]- 374.94372 179.8
[M+NH4]+ 393.98482 191.2
[M+K]+ 414.91416 180.6
[M+H-H2O]+ 358.94826 170.3
[M+HCOO]- 420.94920 175.3
[M+CH3COO]- 434.96485 185.4
[M+Na-2H]- 396.92567 173.7
[M]+ 375.95045 181.7
[M]- 375.95155 181.7
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.