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
1
Annotation Hits

0
References

12
Patents

274.07605 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08333 159.8
[M+Na]+ 297.06527 167.9
[M-H]- 273.06877 166.6
[M+NH4]+ 292.10987 176.8
[M+K]+ 313.03921 163.3
[M+H-H2O]+ 257.07331 153.3
[M+HCOO]- 319.07425 177.7
[M+CH3COO]- 333.08990 198.9
[M+Na-2H]- 295.05072 162.6
[M]+ 274.07550 163.6
[M]- 274.07660 163.6
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