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 143.1
[M+Na]+ 267.98057 154.0
[M-H]- 243.98407 148.4
[M+NH4]+ 263.02517 165.1
[M+K]+ 283.95451 149.2
[M+H-H2O]+ 227.98861 139.5
[M+HCOO]- 289.98955 157.1
[M+CH3COO]- 304.00520 188.1
[M+Na-2H]- 265.96602 149.5
[M]+ 244.99080 146.4
[M]- 244.99190 146.4
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.