CID 4983343

3-bromo-1,1,1-triphenylacetone

Structural Information

Molecular Formula
C21H17BrO
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)CBr
InChI
InChI=1S/C21H17BrO/c22-16-20(23)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKey
CMJKHAMHSNZOIW-UHFFFAOYSA-N
Compound name
3-bromo-1,1,1-triphenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

364.0463 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05358 181.7
[M+Na]+ 387.03552 189.4
[M-H]- 363.03902 192.5
[M+NH4]+ 382.08012 196.8
[M+K]+ 403.00946 176.9
[M+H-H2O]+ 347.04356 179.8
[M+HCOO]- 409.04450 200.1
[M+CH3COO]- 423.06015 209.9
[M+Na-2H]- 385.02097 188.1
[M]+ 364.04575 198.5
[M]- 364.04685 198.5
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