CID 64802

1,3-diphenylpropan-1-one

Structural Information

Molecular Formula
C15H14O
SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey
QGGZBXOADPVUPN-UHFFFAOYSA-N
Compound name
1,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

235
References

23489
Patents

210.10446 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 146.9
[M+Na]+ 233.09368 153.1
[M-H]- 209.09718 153.2
[M+NH4]+ 228.13828 165.1
[M+K]+ 249.06762 149.4
[M+H-H2O]+ 193.10172 139.6
[M+HCOO]- 255.10266 170.4
[M+CH3COO]- 269.11831 187.2
[M+Na-2H]- 231.07913 153.3
[M]+ 210.10391 146.4
[M]- 210.10501 146.4
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