CID 73726

1,1-diphenylpropane

Structural Information

Molecular Formula
C15H16
SMILES
CCC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H16/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey
BUZMJVBOGDBMGI-UHFFFAOYSA-N
Compound name
1-phenylpropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

11457
Patents

196.1252 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13248 144.4
[M+Na]+ 219.11442 150.4
[M-H]- 195.11792 150.6
[M+NH4]+ 214.15902 163.3
[M+K]+ 235.08836 146.7
[M+H-H2O]+ 179.12246 137.2
[M+HCOO]- 241.12340 167.5
[M+CH3COO]- 255.13905 186.1
[M+Na-2H]- 217.09987 150.8
[M]+ 196.12465 143.2
[M]- 196.12575 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