CID 4189914

1,1-diphenyl-3-pentanone

Structural Information

Molecular Formula
C17H18O
SMILES
CCC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H18O/c1-2-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3
InChIKey
DNVZUJFPAUGQDA-UHFFFAOYSA-N
Compound name
1,1-diphenylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

238.13577 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14305 156.4
[M+Na]+ 261.12499 161.4
[M-H]- 237.12849 162.4
[M+NH4]+ 256.16959 173.4
[M+K]+ 277.09893 157.7
[M+H-H2O]+ 221.13303 148.7
[M+HCOO]- 283.13397 178.2
[M+CH3COO]- 297.14962 194.0
[M+Na-2H]- 259.11044 160.4
[M]+ 238.13522 156.0
[M]- 238.13632 156.0
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