CID 16217779

211809-67-5

Structural Information

Molecular Formula
C28H42
SMILES
CCCCC(CC)CC1=CC(=C(C=C1C#CC)CC(CC)CCCC)C#CC
InChI
InChI=1S/C28H42/c1-7-13-17-23(11-5)19-27-21-26(16-10-4)28(22-25(27)15-9-3)20-24(12-6)18-14-8-2/h21-24H,7-8,11-14,17-20H2,1-6H3
InChIKey
CWDFKLNDSGZYPM-UHFFFAOYSA-N
Compound name
1,4-bis(2-ethylhexyl)-2,5-bis(prop-1-ynyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.32864 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.33592 199.1
[M+Na]+ 401.31786 207.4
[M+NH4]+ 396.36246 199.0
[M+K]+ 417.29180 195.0
[M-H]- 377.32136 188.6
[M+Na-2H]- 399.30331 196.2
[M]+ 378.32809 196.2
[M]- 378.32919 196.2
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.