CID 6449205

Brn 3623669

Structural Information

Molecular Formula
C18H15ClO3S
SMILES
COC1=C(C=C(C=C1)/C=C/2\CSC3=C(C2=O)C=C(C=C3)Cl)OC
InChI
InChI=1S/C18H15ClO3S/c1-21-15-5-3-11(8-16(15)22-2)7-12-10-23-17-6-4-13(19)9-14(17)18(12)20/h3-9H,10H2,1-2H3/b12-7+
InChIKey
BKHZHWPBAHDDIJ-KPKJPENVSA-N
Compound name
(3Z)-6-chloro-3-[(3,4-dimethoxyphenyl)methylidene]thiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.04303 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.05031 175.9
[M+Na]+ 369.03225 192.0
[M+NH4]+ 364.07685 185.4
[M+K]+ 385.00619 180.6
[M-H]- 345.03575 181.2
[M+Na-2H]- 367.01770 183.2
[M]+ 346.04248 180.7
[M]- 346.04358 180.7
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.