CID 1203167

1-ethoxy-4-[2-(4-methylphenyl)ethynyl]benzene

Structural Information

Molecular Formula
C17H16O
SMILES
CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C
InChI
InChI=1S/C17H16O/c1-3-18-17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-7,10-13H,3H2,1-2H3
InChIKey
DURDZFYGFXPFAV-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-(4-methylphenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

236.12012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.127396 157.4
[M+Na]+ 259.109338 168.0
[M-H]- 235.112844 161.8
[M+NH4]+ 254.153943 173.4
[M+K]+ 275.083278 161.0
[M+H-H2O]+ 219.117380 144.4
[M+HCOO]- 281.118321 175.3
[M+CH3COO]- 295.133971 199.3
[M+Na-2H]- 257.094786 161.2
[M]+ 236.11957142 153.2
[M]- 236.12066858 153.2
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