CID 3757932

(4-methoxyphenyl)(phenyl)acetic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H14O3/c1-18-13-9-7-12(8-10-13)14(15(16)17)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,16,17)
InChIKey
LLILURMTCOXPIU-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

242.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 153.6
[M+Na]+ 265.083518 159.8
[M-H]- 241.087024 159.0
[M+NH4]+ 260.128123 169.9
[M+K]+ 281.057458 157.0
[M+H-H2O]+ 225.091560 146.4
[M+HCOO]- 287.092501 175.0
[M+CH3COO]- 301.108151 190.6
[M+Na-2H]- 263.068966 157.6
[M]+ 242.09375142 153.9
[M]- 242.09484858 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