CID 135754332

Brn 1326668

Structural Information

Molecular Formula
C18H10Cl2O3S
SMILES
C1=CC=C(C=C1)/C(=C\2/C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/SC2=O)/O
InChI
InChI=1S/C18H10Cl2O3S/c19-12-7-6-11(13(20)9-12)8-14-17(22)15(18(23)24-14)16(21)10-4-2-1-3-5-10/h1-9,21H/b14-8-,16-15+
InChIKey
CMMDEQIPGSALRU-AMVOCXCOSA-N
Compound name
(3E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[hydroxy(phenyl)methylidene]thiolane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.97278 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.98006 184.2
[M+Na]+ 398.96200 194.4
[M-H]- 374.96550 193.1
[M+NH4]+ 394.00660 199.5
[M+K]+ 414.93594 185.5
[M+H-H2O]+ 358.97004 179.4
[M+HCOO]- 420.97098 190.9
[M+CH3COO]- 434.98663 194.8
[M+Na-2H]- 396.94745 179.5
[M]+ 375.97223 187.0
[M]- 375.97333 187.0
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.