CID 291994

4-(4-methylphenoxy)benzoic acid

Structural Information

Molecular Formula
C14H12O3
SMILES
CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H12O3/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
DCDYPMNXCDXNJZ-UHFFFAOYSA-N
Compound name
4-(4-methylphenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

228.07864 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 149.6
[M+Na]+ 251.06786 164.1
[M+NH4]+ 246.11246 157.8
[M+K]+ 267.04180 157.3
[M-H]- 227.07136 153.4
[M+Na-2H]- 249.05331 158.5
[M]+ 228.07809 152.7
[M]- 228.07919 152.7
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