CID 26436

Felbinac ethyl

Structural Information

Molecular Formula
C16H16O2
SMILES
CCOC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKey
NPPJLSILDPVHCM-UHFFFAOYSA-N
Compound name
ethyl 2-(4-phenylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

423
Patents

240.11504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 155.5
[M+Na]+ 263.10426 170.3
[M+NH4]+ 258.14886 164.4
[M+K]+ 279.07820 161.9
[M-H]- 239.10776 160.2
[M+Na-2H]- 261.08971 165.2
[M]+ 240.11449 159.1
[M]- 240.11559 159.1
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