CID 347201

2,2,2-triphenylacetyl chloride

Structural Information

Molecular Formula
C20H15ClO
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)Cl
InChI
InChI=1S/C20H15ClO/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
UOZBNMMELVBICG-UHFFFAOYSA-N
Compound name
2,2,2-triphenylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

306.08115 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08843 170.9
[M+Na]+ 329.07037 177.5
[M-H]- 305.07387 179.8
[M+NH4]+ 324.11497 185.5
[M+K]+ 345.04431 170.6
[M+H-H2O]+ 289.07841 162.6
[M+HCOO]- 351.07935 187.7
[M+CH3COO]- 365.09500 182.0
[M+Na-2H]- 327.05582 177.0
[M]+ 306.08060 171.3
[M]- 306.08170 171.3
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