CID 9579439

8-methoxy-2,3-dihydrothiopyrano[3,2-b]benzothiophen-4-one oxime

Structural Information

Molecular Formula
C12H11NO2S2
SMILES
COC1=CC2=C(C=C1)SC\3=C2SCC/C3=N\O
InChI
InChI=1S/C12H11NO2S2/c1-15-7-2-3-10-8(6-7)11-12(17-10)9(13-14)4-5-16-11/h2-3,6,14H,4-5H2,1H3/b13-9+
InChIKey
XUDOJWXLDKKCBE-UKTHLTGXSA-N
Compound name
(NE)-N-(8-methoxy-2,3-dihydrothiopyrano[3,2-b][1]benzothiol-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02313 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03041 151.4
[M+Na]+ 288.01235 161.9
[M-H]- 264.01585 157.0
[M+NH4]+ 283.05695 173.0
[M+K]+ 303.98629 156.9
[M+H-H2O]+ 248.02039 147.0
[M+HCOO]- 310.02133 165.1
[M+CH3COO]- 324.03698 164.4
[M+Na-2H]- 285.99780 155.6
[M]+ 265.02258 155.9
[M]- 265.02368 155.9
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.