CID 19099083

Lithium, [.mu.-[1,3-phenylenebis[3-methyl-1-(methylphenyl)pentylidene]]]di-

Structural Information

Molecular Formula
C32H42
SMILES
CCC(C)CC(C1=CC=C(C=C1)C)C2=CC(=CC=C2)C(CC(C)CC)C3=CC=C(C=C3)C
InChI
InChI=1S/C32H42/c1-7-23(3)20-31(27-16-12-25(5)13-17-27)29-10-9-11-30(22-29)32(21-24(4)8-2)28-18-14-26(6)15-19-28/h9-19,22-24,31-32H,7-8,20-21H2,1-6H3
InChIKey
PWYJUNRHEFOBJK-UHFFFAOYSA-N
Compound name
1,3-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

426.32864 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.33592 214.0
[M+Na]+ 449.31786 215.4
[M-H]- 425.32136 221.6
[M+NH4]+ 444.36246 223.2
[M+K]+ 465.29180 208.9
[M+H-H2O]+ 409.32590 203.4
[M+HCOO]- 471.32684 229.2
[M+CH3COO]- 485.34249 237.8
[M+Na-2H]- 447.30331 207.7
[M]+ 426.32809 215.0
[M]- 426.32919 215.0
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