CID 137174

1,1-diphenylpentane

Structural Information

Molecular Formula
C17H20
SMILES
CCCCC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H20/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey
GSGNVNZDHCKRGI-UHFFFAOYSA-N
Compound name
1-phenylpentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

418
Patents

224.1565 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16378 153.8
[M+Na]+ 247.14572 158.9
[M-H]- 223.14922 159.6
[M+NH4]+ 242.19032 171.5
[M+K]+ 263.11966 154.7
[M+H-H2O]+ 207.15376 146.2
[M+HCOO]- 269.15470 176.2
[M+CH3COO]- 283.17035 192.1
[M+Na-2H]- 245.13117 159.1
[M]+ 224.15595 153.2
[M]- 224.15705 153.2
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