CID 597513

21409-25-6

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)O
InChI
InChI=1S/C15H14O3/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
InChIKey
KWGQOJWITMQEOT-UHFFFAOYSA-N
Compound name
2-benzhydryloxyacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1678
Patents

242.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.8
[M+Na]+ 265.08352 167.9
[M+NH4]+ 260.12812 162.7
[M+K]+ 281.05746 161.3
[M-H]- 241.08702 158.2
[M+Na-2H]- 263.06897 163.5
[M]+ 242.09375 157.6
[M]- 242.09485 157.6
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