CID 96261

Ethyl benzilate

Structural Information

Molecular Formula
C16H16O3
SMILES
CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3
InChIKey
AIPVNQQMYPWQSX-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

256.10995 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 158.6
[M+Na]+ 279.09917 164.3
[M-H]- 255.10267 163.7
[M+NH4]+ 274.14377 174.3
[M+K]+ 295.07311 161.1
[M+H-H2O]+ 239.10721 151.5
[M+HCOO]- 301.10815 179.1
[M+CH3COO]- 315.12380 191.3
[M+Na-2H]- 277.08462 164.7
[M]+ 256.10940 158.9
[M]- 256.11050 158.9
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