CID 240547

Ethyl chloro(diphenyl)acetate

Structural Information

Molecular Formula
C16H15ClO2
SMILES
CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)Cl
InChI
InChI=1S/C16H15ClO2/c1-2-19-15(18)16(17,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
MSBGLMWCKRSNHW-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

274.07605 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08333 162.3
[M+Na]+ 297.06527 177.2
[M+NH4]+ 292.10987 171.2
[M+K]+ 313.03921 169.0
[M-H]- 273.06877 166.4
[M+Na-2H]- 295.05072 172.2
[M]+ 274.07550 166.1
[M]- 274.07660 166.1
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

patents stripe