CID 5120819

4-(4-methoxyphenoxy)benzoic acid

Structural Information

Molecular Formula
C14H12O4
SMILES
COC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H12O4/c1-17-11-6-8-13(9-7-11)18-12-4-2-10(3-5-12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
COMKNVCMWUGEPO-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

244.07356 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe