CID 103387

65416-22-0

Structural Information

Molecular Formula
C16H13Cl3O2
SMILES
C1=CC=C(C=C1)CC(=O)OC(C2=CC=CC=C2)C(Cl)(Cl)Cl
InChI
InChI=1S/C16H13Cl3O2/c17-16(18,19)15(13-9-5-2-6-10-13)21-14(20)11-12-7-3-1-4-8-12/h1-10,15H,11H2
InChIKey
XBNCLGQQXMCUGV-UHFFFAOYSA-N
Compound name
(2,2,2-trichloro-1-phenylethyl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

341.9981 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.00538 171.6
[M+Na]+ 364.98732 178.9
[M-H]- 340.99082 176.1
[M+NH4]+ 360.03192 186.0
[M+K]+ 380.96126 172.5
[M+H-H2O]+ 324.99536 166.2
[M+HCOO]- 386.99630 177.5
[M+CH3COO]- 401.01195 205.0
[M+Na-2H]- 362.97277 174.8
[M]+ 341.99755 175.8
[M]- 341.99865 175.8
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

No patent data available for this compound.