CID 137765

1,1-di(p-tolyl)ethylene

Structural Information

Molecular Formula
C16H16
SMILES
CC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H16/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16/h4-11H,3H2,1-2H3
InChIKey
HEDMCKGHZIRQLS-UHFFFAOYSA-N
Compound name
1-methyl-4-[1-(4-methylphenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

162
Patents

208.1252 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13248 146.3
[M+Na]+ 231.11442 154.1
[M-H]- 207.11792 153.3
[M+NH4]+ 226.15902 165.4
[M+K]+ 247.08836 149.7
[M+H-H2O]+ 191.12246 139.6
[M+HCOO]- 253.12340 169.4
[M+CH3COO]- 267.13905 190.4
[M+Na-2H]- 229.09987 150.9
[M]+ 208.12465 145.6
[M]- 208.12575 145.6
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