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
2
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 175.5
[M+Na]+ 416.90478 184.9
[M-H]- 392.90828 180.1
[M+NH4]+ 411.94938 188.8
[M+K]+ 432.87872 177.9
[M+H-H2O]+ 376.91282 172.2
[M+HCOO]- 438.91376 171.9
[M+CH3COO]- 452.92941 213.2
[M+Na-2H]- 414.89023 173.8
[M]+ 393.91501 180.2
[M]- 393.91611 180.2
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