CID 11413368

1-(4-ethylphenyl)-2-(4-methylphenyl)acetylene

Structural Information

Molecular Formula
C17H16
SMILES
CCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C
InChI
InChI=1S/C17H16/c1-3-15-8-10-17(11-9-15)13-12-16-6-4-14(2)5-7-16/h4-11H,3H2,1-2H3
InChIKey
LFNSILZUJYWPJS-UHFFFAOYSA-N
Compound name
1-ethyl-4-[2-(4-methylphenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

220.1252 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13248 154.4
[M+Na]+ 243.11442 165.1
[M-H]- 219.11792 158.9
[M+NH4]+ 238.15902 171.0
[M+K]+ 259.08836 157.5
[M+H-H2O]+ 203.12246 141.6
[M+HCOO]- 265.12340 172.1
[M+CH3COO]- 279.13905 197.6
[M+Na-2H]- 241.09987 158.2
[M]+ 220.12465 149.0
[M]- 220.12575 149.0
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