CID 274547

4-(2-phenoxyethoxy)benzoic acid

Structural Information

Molecular Formula
C15H14O4
SMILES
C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H14O4/c16-15(17)12-6-8-14(9-7-12)19-11-10-18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
InChIKey
MIFKBDZVXBJUFX-UHFFFAOYSA-N
Compound name
4-(2-phenoxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

46
Patents

258.0892 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.6
[M+Na]+ 281.07842 163.0
[M-H]- 257.08192 161.8
[M+NH4]+ 276.12302 172.2
[M+K]+ 297.05236 160.2
[M+H-H2O]+ 241.08646 148.9
[M+HCOO]- 303.08740 179.2
[M+CH3COO]- 317.10305 191.8
[M+Na-2H]- 279.06387 161.8
[M]+ 258.08865 158.9
[M]- 258.08975 158.9
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