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

1
Patents

226.13577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.143046 152.1
[M+Na]+ 249.124988 158.8
[M-H]- 225.128494 158.4
[M+NH4]+ 244.169593 170.1
[M+K]+ 265.098928 155.0
[M+H-H2O]+ 209.133030 144.5
[M+HCOO]- 271.133971 176.1
[M+CH3COO]- 285.149621 191.3
[M+Na-2H]- 247.110436 158.4
[M]+ 226.13522142 153.6
[M]- 226.13631858 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

patents stripe