CID 3011020

2,2-difluoro-1,5-diphenyl-pentan-3-one

Structural Information

Molecular Formula
C17H16F2O
SMILES
C1=CC=C(C=C1)CCC(=O)C(CC2=CC=CC=C2)(F)F
InChI
InChI=1S/C17H16F2O/c18-17(19,13-15-9-5-2-6-10-15)16(20)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKey
AALOYHFOECOTCK-UHFFFAOYSA-N
Compound name
2,2-difluoro-1,5-diphenylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

274.1169 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12418 162.3
[M+Na]+ 297.10612 168.2
[M-H]- 273.10962 165.6
[M+NH4]+ 292.15072 177.8
[M+K]+ 313.08006 163.4
[M+H-H2O]+ 257.11416 152.9
[M+HCOO]- 319.11510 181.3
[M+CH3COO]- 333.13075 198.9
[M+Na-2H]- 295.09157 166.9
[M]+ 274.11635 159.8
[M]- 274.11745 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe