CID 69753

1,1-diphenylbutane

Structural Information

Molecular Formula
C16H18
SMILES
CCCC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H18/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3
InChIKey
SZFDQMKAGLCYPA-UHFFFAOYSA-N
Compound name
1-phenylbutylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

820
Patents

210.14085 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14813 150.2
[M+Na]+ 233.13007 165.6
[M+NH4]+ 228.17467 160.6
[M+K]+ 249.10401 156.1
[M-H]- 209.13357 156.2
[M+Na-2H]- 231.11552 161.2
[M]+ 210.14030 154.4
[M]- 210.14140 154.4
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