CID 563456

Benzene, 1,1'-(1-ethyl-1,3-propanediyl)bis-

Structural Information

Molecular Formula
C17H20
SMILES
CCC(CCC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H20/c1-2-16(17-11-7-4-8-12-17)14-13-15-9-5-3-6-10-15/h3-12,16H,2,13-14H2,1H3
InChIKey
NXKYVNWYVWJWEN-UHFFFAOYSA-N
Compound name
1-phenylpentan-3-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

224.1565 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.163776 153.8
[M+Na]+ 247.145718 158.9
[M-H]- 223.149224 159.6
[M+NH4]+ 242.190323 171.5
[M+K]+ 263.119658 154.7
[M+H-H2O]+ 207.153760 146.2
[M+HCOO]- 269.154701 176.2
[M+CH3COO]- 283.170351 192.1
[M+Na-2H]- 245.131166 159.1
[M]+ 224.15595142 153.2
[M]- 224.15704858 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

No literature data available for this compound.

Patent stripe

patents stripe