CID 75414

2379-75-1

Structural Information

Molecular Formula
C20H14Cl2O2S2
SMILES
CC1=CC(=C(C2=C1SC(=C3C(=O)C4=C(S3)C(=CC(=C4C)Cl)C)C2=O)C)Cl
InChI
InChI=1S/C20H14Cl2O2S2/c1-7-5-11(21)9(3)13-15(23)19(25-17(7)13)20-16(24)14-10(4)12(22)6-8(2)18(14)26-20/h5-6H,1-4H3
InChIKey
WNQYKPVIXDBBAO-UHFFFAOYSA-N
Compound name
5-chloro-2-(5-chloro-4,7-dimethyl-3-oxo-1-benzothiophen-2-ylidene)-4,7-dimethyl-1-benzothiophen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

230
Patents

419.98123 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.98851 198.2
[M+Na]+ 442.97045 213.4
[M+NH4]+ 438.01505 208.2
[M+K]+ 458.94439 203.1
[M-H]- 418.97395 202.9
[M+Na-2H]- 440.95590 200.7
[M]+ 419.98068 203.4
[M]- 419.98178 203.4
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.