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

7
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 159.2
[M+Na]+ 299.03646 168.0
[M-H]- 275.03996 165.1
[M+NH4]+ 294.08106 176.8
[M+K]+ 315.01040 160.7
[M+H-H2O]+ 259.04450 153.7
[M+HCOO]- 321.04544 171.5
[M+CH3COO]- 335.06109 198.7
[M+Na-2H]- 297.02191 161.3
[M]+ 276.04669 161.4
[M]- 276.04779 161.4
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.