CID 16413845

331461-52-0

Structural Information

Molecular Formula
C15H10Cl2OS
SMILES
C1=CC(=CC=C1/C=C\C(=O)SC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H10Cl2OS/c16-12-4-1-11(2-5-12)3-10-15(18)19-14-8-6-13(17)7-9-14/h1-10H/b10-3-
InChIKey
GEGREPKCSGJLLC-KMKOMSMNSA-N
Compound name
S-(4-chlorophenyl) (Z)-3-(4-chlorophenyl)prop-2-enethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.98294 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99022 167.2
[M+Na]+ 330.97216 183.6
[M+NH4]+ 326.01676 177.0
[M+K]+ 346.94610 171.5
[M-H]- 306.97566 172.1
[M+Na-2H]- 328.95761 176.2
[M]+ 307.98239 172.2
[M]- 307.98349 172.2
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

No patent data available for this compound.