CID 14125

1,3-diphenylpropane

Structural Information

Molecular Formula
C15H16
SMILES
C1=CC=C(C=C1)CCCC2=CC=CC=C2
InChI
InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey
VEAFKIYNHVBNIP-UHFFFAOYSA-N
Compound name
3-phenylpropylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

31
References

5448
Patents

196.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.132476 144.0
[M+Na]+ 219.114418 150.3
[M-H]- 195.117924 150.2
[M+NH4]+ 214.159023 163.0
[M+K]+ 235.088358 146.1
[M+H-H2O]+ 179.122460 136.8
[M+HCOO]- 241.123401 168.1
[M+CH3COO]- 255.139051 185.3
[M+Na-2H]- 217.099866 151.7
[M]+ 196.12465142 143.4
[M]- 196.12574858 143.4
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