CID 14797584

1-(4-(4-chloro-3-methylphenoxy)phenyl)ethanone

Structural Information

Molecular Formula
C15H13ClO2
SMILES
CC1=C(C=CC(=C1)OC2=CC=C(C=C2)C(=O)C)Cl
InChI
InChI=1S/C15H13ClO2/c1-10-9-14(7-8-15(10)16)18-13-5-3-12(4-6-13)11(2)17/h3-9H,1-2H3
InChIKey
CLZLXIBVWOGERP-UHFFFAOYSA-N
Compound name
1-[4-(4-chloro-3-methylphenoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

260.0604 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.067676 154.9
[M+Na]+ 283.049618 164.7
[M-H]- 259.053124 162.1
[M+NH4]+ 278.094223 172.9
[M+K]+ 299.023558 159.8
[M+H-H2O]+ 243.057660 148.6
[M+HCOO]- 305.058601 174.1
[M+CH3COO]- 319.074251 196.3
[M+Na-2H]- 281.035066 158.7
[M]+ 260.05985142 159.3
[M]- 260.06094858 159.3
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