CID 13461

890-98-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

408
Patents

242.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 154.4
[M+Na]+ 265.083518 159.7
[M-H]- 241.087024 159.4
[M+NH4]+ 260.128123 170.4
[M+K]+ 281.057458 156.8
[M+H-H2O]+ 225.091560 146.9
[M+HCOO]- 287.092501 175.8
[M+CH3COO]- 301.108151 188.8
[M+Na-2H]- 263.068966 159.0
[M]+ 242.09375142 154.2
[M]- 242.09484858 154.2
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