CID 6509953

2,3-dihydro-7-chloro-4h-1-benzothiopyran-4-one oxime 1,1-dioxide

Structural Information

Molecular Formula
C9H8ClNO3S
SMILES
C\1CS(=O)(=O)C2=C(/C1=N\O)C=CC(=C2)Cl
InChI
InChI=1S/C9H8ClNO3S/c10-6-1-2-7-8(11-12)3-4-15(13,14)9(7)5-6/h1-2,5,12H,3-4H2/b11-8-
InChIKey
ISEQWOHIJKNHSL-FLIBITNWSA-N
Compound name
(NZ)-N-(7-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.99135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99863 145.7
[M+Na]+ 267.98057 158.6
[M+NH4]+ 263.02517 156.0
[M+K]+ 283.95451 148.1
[M-H]- 243.98407 148.1
[M+Na-2H]- 265.96602 152.7
[M]+ 244.99080 149.0
[M]- 244.99190 149.0
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.

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No patent data available for this compound.