CID 6449207

Brn 3621304

Structural Information

Molecular Formula
C20H13ClOS
SMILES
C1/C(=C\C2=CC3=CC=CC=C3C=C2)/C(=O)C4=C(S1)C=CC(=C4)Cl
InChI
InChI=1S/C20H13ClOS/c21-17-7-8-19-18(11-17)20(22)16(12-23-19)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2/b16-10+
InChIKey
QZOGZQUTEMVWEY-MHWRWJLKSA-N
Compound name
(3Z)-6-chloro-3-(naphthalen-2-ylmethylidene)thiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.03757 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04485 173.7
[M+Na]+ 359.02679 183.7
[M-H]- 335.03029 181.8
[M+NH4]+ 354.07139 190.9
[M+K]+ 375.00073 175.1
[M+H-H2O]+ 319.03483 166.7
[M+HCOO]- 381.03577 183.9
[M+CH3COO]- 395.05142 184.9
[M+Na-2H]- 357.01224 177.1
[M]+ 336.03702 175.6
[M]- 336.03812 175.6
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.