CID 578656

2-(4-methylphenoxy)benzoic acid

Structural Information

Molecular Formula
C14H12O3
SMILES
CC1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12O3/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
GRUODACYFFPYCV-UHFFFAOYSA-N
Compound name
2-(4-methylphenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

228.07864 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

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