CID 9835554

202652-64-0

Structural Information

Molecular Formula
C22H22
SMILES
C=CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCC=C
InChI
InChI=1S/C22H22/c1-3-5-7-19-9-13-21(14-10-19)17-18-22-15-11-20(12-16-22)8-6-4-2/h3-4,9-16H,1-2,5-8H2
InChIKey
DOTOVEIVWNKSJT-UHFFFAOYSA-N
Compound name
1-but-3-enyl-4-[2-(4-but-3-enylphenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

286.17215 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17943 174.3
[M+Na]+ 309.16137 183.6
[M-H]- 285.16487 177.9
[M+NH4]+ 304.20597 188.2
[M+K]+ 325.13531 173.6
[M+H-H2O]+ 269.16941 160.6
[M+HCOO]- 331.17035 190.7
[M+CH3COO]- 345.18600 209.5
[M+Na-2H]- 307.14682 175.4
[M]+ 286.17160 169.1
[M]- 286.17270 169.1
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

patents stripe