CID 11033076

154356-96-4

Structural Information

Molecular Formula

C₁₆H₁₅ClO₂

SMILES

CC(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClO2/c1-11(2)19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h3-11H,1-2H3

InChIKey

HSLTXCVJWGIWIS-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 274.07605 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.083326	159.8
[M+Na]+	297.065268	167.9
[M-H]-	273.068774	166.6
[M+NH4]+	292.109873	176.8
[M+K]+	313.039208	163.3
[M+H-H2O]+	257.073310	153.3
[M+HCOO]-	319.074251	177.7
[M+CH3COO]-	333.089901	198.9
[M+Na-2H]-	295.050716	162.6
[M]+	274.07550142	163.6
[M]-	274.07659858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe