CID 22068

1,2-diphenylpropane

Structural Information

Molecular Formula
C15H16
SMILES
CC(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H16/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKey
XLWCIHPMASUXPI-UHFFFAOYSA-N
Compound name
1-phenylpropan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3430
Patents

196.1252 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.132476 144.4
[M+Na]+ 219.114418 150.4
[M-H]- 195.117924 150.6
[M+NH4]+ 214.159023 163.3
[M+K]+ 235.088358 146.7
[M+H-H2O]+ 179.122460 137.2
[M+HCOO]- 241.123401 167.5
[M+CH3COO]- 255.139051 186.1
[M+Na-2H]- 217.099866 150.8
[M]+ 196.12465142 143.2
[M]- 196.12574858 143.2
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