CID 378496

Nsc661096

Structural Information

Molecular Formula
C9H7ClN4O2S2
SMILES
CNNC1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C#N)Cl
InChI
InChI=1S/C9H7ClN4O2S2/c1-12-13-9-14-18(15,16)8-2-5(4-11)6(10)3-7(8)17-9/h2-3,12H,1H3,(H,13,14)
InChIKey
UFUUSIZLRXMOHN-UHFFFAOYSA-N
Compound name
6-chloro-3-(2-methylhydrazinyl)-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.9699 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.97718 165.6
[M+Na]+ 324.95912 178.6
[M-H]- 300.96262 169.2
[M+NH4]+ 320.00372 182.1
[M+K]+ 340.93306 172.0
[M+H-H2O]+ 284.96716 155.1
[M+HCOO]- 346.96810 171.6
[M+CH3COO]- 360.98375 175.7
[M+Na-2H]- 322.94457 170.4
[M]+ 301.96935 164.7
[M]- 301.97045 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.