CID 21496

1,5-diphenylpentan-3-one

Structural Information

Molecular Formula
C17H18O
SMILES
C1=CC=C(C=C1)CCC(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C17H18O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
JENANTGGBLOTIB-UHFFFAOYSA-N
Compound name
1,5-diphenylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1582
Patents

238.13577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14305 156.3
[M+Na]+ 261.12499 161.6
[M-H]- 237.12849 162.1
[M+NH4]+ 256.16959 173.3
[M+K]+ 277.09893 157.4
[M+H-H2O]+ 221.13303 148.5
[M+HCOO]- 283.13397 179.1
[M+CH3COO]- 297.14962 193.2
[M+Na-2H]- 259.11044 161.5
[M]+ 238.13522 156.5
[M]- 238.13632 156.5
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