CID 618450

4-(2-methoxyphenoxy)benzoic acid

Structural Information

Molecular Formula
C14H12O4
SMILES
COC1=CC=CC=C1OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H12O4/c1-17-12-4-2-3-5-13(12)18-11-8-6-10(7-9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
UYBHUZLSTOFTOG-UHFFFAOYSA-N
Compound name
4-(2-methoxyphenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

244.07356 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 151.5
[M+Na]+ 267.06278 159.3
[M-H]- 243.06628 157.4
[M+NH4]+ 262.10738 168.0
[M+K]+ 283.03672 156.8
[M+H-H2O]+ 227.07082 144.3
[M+HCOO]- 289.07176 174.5
[M+CH3COO]- 303.08741 190.0
[M+Na-2H]- 265.04823 156.6
[M]+ 244.07301 153.9
[M]- 244.07411 153.9
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