CID 66182

1,4-diphenylbutane

Structural Information

Molecular Formula
C16H18
SMILES
C1=CC=C(C=C1)CCCCC2=CC=CC=C2
InChI
InChI=1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey
GLJFYGFBITUZOE-UHFFFAOYSA-N
Compound name
4-phenylbutylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1290
Patents

210.14085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 148.7
[M+Na]+ 233.130068 154.5
[M-H]- 209.133574 154.6
[M+NH4]+ 228.174673 167.1
[M+K]+ 249.104008 150.1
[M+H-H2O]+ 193.138110 141.2
[M+HCOO]- 255.139051 172.4
[M+CH3COO]- 269.154701 188.3
[M+Na-2H]- 231.115516 155.8
[M]+ 210.14030142 148.4
[M]- 210.14139858 148.4
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