CID 3023481

2-(2-ethoxyethyl)-1,1'-biphenyl

Structural Information

Molecular Formula
C16H18O
SMILES
CCOCCC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C16H18O/c1-2-17-13-12-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKey
HUCFUMWLYMWWHX-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.14305 152.1
[M+Na]+ 249.12499 158.8
[M-H]- 225.12849 158.4
[M+NH4]+ 244.16959 170.1
[M+K]+ 265.09893 155.0
[M+H-H2O]+ 209.13303 144.5
[M+HCOO]- 271.13397 176.1
[M+CH3COO]- 285.14962 191.3
[M+Na-2H]- 247.11044 158.4
[M]+ 226.13522 153.6
[M]- 226.13632 153.6
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

No patent data available for this compound.