CID 297636

1,2-diphenylbutan-1-one

Structural Information

Molecular Formula
C16H16O
SMILES
CCC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H16O/c1-2-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey
UHKJKVIZTFFFSB-UHFFFAOYSA-N
Compound name
1,2-diphenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1448
Patents

224.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12740 151.7
[M+Na]+ 247.10934 157.2
[M-H]- 223.11284 157.9
[M+NH4]+ 242.15394 169.2
[M+K]+ 263.08328 153.7
[M+H-H2O]+ 207.11738 144.3
[M+HCOO]- 269.11832 173.8
[M+CH3COO]- 283.13397 191.0
[M+Na-2H]- 245.09479 156.3
[M]+ 224.11957 150.9
[M]- 224.12067 150.9
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