CID 135410909

Nnc-55-0118

Structural Information

Molecular Formula
C8H10ClN3O2S2
SMILES
CC(C)N=C1NC2=C(SC(=C2)Cl)S(=O)(=O)N1
InChI
InChI=1S/C8H10ClN3O2S2/c1-4(2)10-8-11-5-3-6(9)15-7(5)16(13,14)12-8/h3-4H,1-2H3,(H2,10,11,12)
InChIKey
NDBOSDQLHXHDSC-UHFFFAOYSA-N
Compound name
6-chloro-1,1-dioxo-N-propan-2-yl-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

51
Patents

278.9903 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.99758 152.3
[M+Na]+ 301.97952 162.7
[M-H]- 277.98302 153.1
[M+NH4]+ 297.02412 171.5
[M+K]+ 317.95346 156.5
[M+H-H2O]+ 261.98756 149.1
[M+HCOO]- 323.98850 156.5
[M+CH3COO]- 338.00415 163.4
[M+Na-2H]- 299.96497 153.7
[M]+ 278.98975 154.0
[M]- 278.99085 154.0
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

patents stripe