CID 3054672

Brn 1992958

Structural Information

Molecular Formula
C16H15ClO3
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H15ClO3/c1-11(16(18)19)20-15-8-4-13(5-9-15)10-12-2-6-14(17)7-3-12/h2-9,11H,10H2,1H3,(H,18,19)
InChIKey
SWQUMTOEXNNWLG-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

290.07098 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07826 164.1
[M+Na]+ 313.06020 178.7
[M+NH4]+ 308.10480 172.1
[M+K]+ 329.03414 171.3
[M-H]- 289.06370 167.7
[M+Na-2H]- 311.04565 172.2
[M]+ 290.07043 167.5
[M]- 290.07153 167.5
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