CID 59208

102077-83-8

Structural Information

Molecular Formula
C20H18O3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C20H18O3/c1-2-23-20(19(21)22,16-11-4-3-5-12-16)18-14-8-10-15-9-6-7-13-17(15)18/h3-14H,2H2,1H3,(H,21,22)
InChIKey
QPHSEAKLVYYSIG-UHFFFAOYSA-N
Compound name
2-ethoxy-2-naphthalen-1-yl-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12558 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13286 171.9
[M+Na]+ 329.11480 177.9
[M-H]- 305.11830 177.7
[M+NH4]+ 324.15940 186.4
[M+K]+ 345.08874 173.3
[M+H-H2O]+ 289.12284 164.0
[M+HCOO]- 351.12378 190.6
[M+CH3COO]- 365.13943 202.9
[M+Na-2H]- 327.10025 178.4
[M]+ 306.12503 172.7
[M]- 306.12613 172.7
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.