CID 21566

1,1-dichloro-2,2-di-(p-tolyl)-ethylene

Structural Information

Molecular Formula
C16H14Cl2
SMILES
CC1=CC=C(C=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H14Cl2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
MSUWJPYRBHVMHQ-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-methylphenyl)ethenyl]-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

276.04724 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05452 161.6
[M+Na]+ 299.03646 178.7
[M+NH4]+ 294.08106 171.8
[M+K]+ 315.01040 168.7
[M-H]- 275.03996 167.0
[M+Na-2H]- 297.02191 171.5
[M]+ 276.04669 166.5
[M]- 276.04779 166.5
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

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