CID 40789

53498-63-8

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=CC=CC=C1OC(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H14O3/c1-11-7-5-6-10-13(11)18-14(15(16)17)12-8-3-2-4-9-12/h2-10,14H,1H3,(H,16,17)
InChIKey
JUMFHPAEVFSSKZ-UHFFFAOYSA-N
Compound name
2-(2-methylphenoxy)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.