CID 378494

Nsc661094

Structural Information

Molecular Formula
C9H10ClN3O2S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC
InChI
InChI=1S/C9H10ClN3O2S2/c1-5-3-8-7(4-6(5)10)16-9(12-11-2)13-17(8,14)15/h3-4,11H,1-2H3,(H,12,13)
InChIKey
PGVNWVQAFNZAMJ-UHFFFAOYSA-N
Compound name
1-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)-2-methylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.9903 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.99758 151.6
[M+Na]+ 313.97952 162.6
[M-H]- 289.98302 155.0
[M+NH4]+ 309.02412 170.3
[M+K]+ 329.95346 156.2
[M+H-H2O]+ 273.98756 147.3
[M+HCOO]- 335.98850 160.3
[M+CH3COO]- 350.00415 199.8
[M+Na-2H]- 311.96497 157.5
[M]+ 290.98975 156.2
[M]- 290.99085 156.2
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.