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
2
Annotation Hits

0
References

64
Patents

274.07605 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.083326 161.5
[M+Na]+ 297.065268 168.5
[M-H]- 273.068774 167.8
[M+NH4]+ 292.109873 178.1
[M+K]+ 313.039208 163.7
[M+H-H2O]+ 257.073310 154.8
[M+HCOO]- 319.074251 178.7
[M+CH3COO]- 333.089901 195.5
[M+Na-2H]- 295.050716 167.5
[M]+ 274.07550142 164.5
[M]- 274.07659858 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