CID 74637

Diphenylacetyl chloride

Structural Information

Molecular Formula
C14H11ClO
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)Cl
InChI
InChI=1S/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey
MSYLETHDEIJMAF-UHFFFAOYSA-N
Compound name
2,2-diphenylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1291
Patents

230.04984 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05712 149.4
[M+Na]+ 253.03906 165.2
[M+NH4]+ 248.08366 159.4
[M+K]+ 269.01300 156.6
[M-H]- 229.04256 154.5
[M+Na-2H]- 251.02451 160.1
[M]+ 230.04929 153.6
[M]- 230.05039 153.6
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