CID 107384

1,2-diphenylbutane

Structural Information

Molecular Formula
C16H18
SMILES
CCC(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H18/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h3-12,15H,2,13H2,1H3
InChIKey
XJGHNXQUBBXYCH-UHFFFAOYSA-N
Compound name
1-phenylbutan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

337
Patents

210.14085 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 149.1
[M+Na]+ 233.130068 154.6
[M-H]- 209.133574 155.1
[M+NH4]+ 228.174673 167.4
[M+K]+ 249.104008 150.7
[M+H-H2O]+ 193.138110 141.7
[M+HCOO]- 255.139051 171.8
[M+CH3COO]- 269.154701 189.1
[M+Na-2H]- 231.115516 155.0
[M]+ 210.14030142 148.2
[M]- 210.14139858 148.2
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