CID 6509953

4h-1-benzothiopyran-4-one, 2,3-dihydro-7-chloro-, 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]+ 245.998626 143.1
[M+Na]+ 267.980568 154.0
[M-H]- 243.984074 148.4
[M+NH4]+ 263.025173 165.1
[M+K]+ 283.954508 149.2
[M+H-H2O]+ 227.988610 139.5
[M+HCOO]- 289.989551 157.1
[M+CH3COO]- 304.005201 188.1
[M+Na-2H]- 265.966016 149.5
[M]+ 244.99080142 146.4
[M]- 244.99189858 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.