CID 16926

2379-74-0

Structural Information

Molecular Formula
C18H10Cl2O2S2
SMILES
CC1=CC(=CC2=C1C(=O)C(=C3C(=O)C4=C(S3)C=C(C=C4C)Cl)S2)Cl
InChI
InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3
InChIKey
NDDLLTAIKYHPOD-UHFFFAOYSA-N
Compound name
6-chloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

4945
Patents

391.94992 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.95720 188.1
[M+Na]+ 414.93914 203.1
[M+NH4]+ 409.98374 198.5
[M+K]+ 430.91308 193.0
[M-H]- 390.94264 192.8
[M+Na-2H]- 412.92459 191.5
[M]+ 391.94937 193.2
[M]- 391.95047 193.2
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

patents stripe