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

81
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 161.5
[M+Na]+ 297.06527 168.5
[M-H]- 273.06877 167.8
[M+NH4]+ 292.10987 178.1
[M+K]+ 313.03921 163.7
[M+H-H2O]+ 257.07331 154.8
[M+HCOO]- 319.07425 178.7
[M+CH3COO]- 333.08990 195.5
[M+Na-2H]- 295.05072 167.5
[M]+ 274.07550 164.5
[M]- 274.07660 164.5
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