CID 3000708

6492-68-8

Structural Information

Molecular Formula
C16H6Cl2O2S2
SMILES
C1=CC2=C(C=C1Cl)S/C(=C/3\C(=O)C4=C(S3)C=C(C=C4)Cl)/C2=O
InChI
InChI=1S/C16H6Cl2O2S2/c17-7-1-3-9-11(5-7)21-15(13(9)19)16-14(20)10-4-2-8(18)6-12(10)22-16/h1-6H/b16-15+
InChIKey
KOAKDLSQLKOGDY-FOCLMDBBSA-N
Compound name
(2E)-6-chloro-2-(6-chloro-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

363.91864 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.92592 183.3
[M+Na]+ 386.90786 197.5
[M-H]- 362.91136 192.9
[M+NH4]+ 381.95246 204.7
[M+K]+ 402.88180 189.3
[M+H-H2O]+ 346.91590 181.8
[M+HCOO]- 408.91684 186.9
[M+CH3COO]- 422.93249 195.5
[M+Na-2H]- 384.89331 180.0
[M]+ 363.91809 190.2
[M]- 363.91919 190.2
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