CID 60626773

217636-47-0

Structural Information

Molecular Formula
C17H15ClO3
SMILES
CC(C(=O)C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H15ClO3/c1-11(19)12(2)21-16-9-5-14(6-10-16)17(20)13-3-7-15(18)8-4-13/h3-10,12H,1-2H3
InChIKey
UGIBXSPOZIFSQB-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07098 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07826 165.6
[M+Na]+ 325.06020 173.2
[M-H]- 301.06370 172.4
[M+NH4]+ 320.10480 181.3
[M+K]+ 341.03414 168.9
[M+H-H2O]+ 285.06824 158.9
[M+HCOO]- 347.06918 182.6
[M+CH3COO]- 361.08483 204.0
[M+Na-2H]- 323.04565 166.8
[M]+ 302.07043 170.0
[M]- 302.07153 170.0
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

No patent data available for this compound.