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

30
Patents

244.07356 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 151.5
[M+Na]+ 267.062778 159.3
[M-H]- 243.066284 157.4
[M+NH4]+ 262.107383 168.0
[M+K]+ 283.036718 156.8
[M+H-H2O]+ 227.070820 144.3
[M+HCOO]- 289.071761 174.5
[M+CH3COO]- 303.087411 190.0
[M+Na-2H]- 265.048226 156.6
[M]+ 244.07301142 153.9
[M]- 244.07410858 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