CID 4180287

4-chloro-4'-phenoxybutyrophenone

Structural Information

Molecular Formula
C16H15ClO2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CCCCl
InChI
InChI=1S/C16H15ClO2/c17-12-4-7-16(18)13-8-10-15(11-9-13)19-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2
InChIKey
FSZSCUJOLVNTIZ-UHFFFAOYSA-N
Compound name
4-chloro-1-(4-phenoxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

274.07605 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08333 161.3
[M+Na]+ 297.06527 176.9
[M+NH4]+ 292.10987 170.4
[M+K]+ 313.03921 167.6
[M-H]- 273.06877 166.0
[M+Na-2H]- 295.05072 171.0
[M]+ 274.07550 165.3
[M]- 274.07660 165.3
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