CID 387414

Nsc681162

Structural Information

Molecular Formula
C10H7ClN2O2S2
SMILES
CC1=CC2=C(C=C1Cl)SC3=NC=CN3S2(=O)=O
InChI
InChI=1S/C10H7ClN2O2S2/c1-6-4-9-8(5-7(6)11)16-10-12-2-3-13(10)17(9,14)15/h2-5H,1H3
InChIKey
BKVHQDZLWQZGAV-UHFFFAOYSA-N
Compound name
8-chloro-7-methylimidazo[1,2-b][1,4,2]benzodithiazine 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.96375 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.97103 153.2
[M+Na]+ 308.95297 167.8
[M-H]- 284.95647 157.2
[M+NH4]+ 303.99757 174.7
[M+K]+ 324.92691 161.8
[M+H-H2O]+ 268.96101 149.6
[M+HCOO]- 330.96195 159.8
[M+CH3COO]- 344.97760 166.5
[M+Na-2H]- 306.93842 157.4
[M]+ 285.96320 160.5
[M]- 285.96430 160.5
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.