CID 119115

Meso2-dde

Structural Information

Molecular Formula
C15H10Cl4O2S
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)Cl)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H10Cl4O2S/c1-22(20,21)13-8-11(17)6-7-12(13)14(15(18)19)9-2-4-10(16)5-3-9/h2-8H,1H3
InChIKey
YQCQEXWXRQQMAR-UHFFFAOYSA-N
Compound name
4-chloro-1-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-2-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

0
Patents

393.91556 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.92284 190.6
[M+Na]+ 416.90478 205.5
[M+NH4]+ 411.94938 198.3
[M+K]+ 432.87872 194.9
[M-H]- 392.90828 192.8
[M+Na-2H]- 414.89023 196.7
[M]+ 393.91501 195.0
[M]- 393.91611 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe