CID 10561211

71815-31-1

Structural Information

Molecular Formula
C15H14O2
SMILES
CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C15H14O2/c1-11-3-7-14(8-4-11)17-15-9-5-13(6-10-15)12(2)16/h3-10H,1-2H3
InChIKey
CAZWIMGCKKDNSZ-UHFFFAOYSA-N
Compound name
1-[4-(4-methylphenoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

226.09938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 149.2
[M+Na]+ 249.08860 157.2
[M-H]- 225.09210 156.3
[M+NH4]+ 244.13320 167.4
[M+K]+ 265.06254 154.2
[M+H-H2O]+ 209.09664 142.0
[M+HCOO]- 271.09758 172.9
[M+CH3COO]- 285.11323 191.4
[M+Na-2H]- 247.07405 154.2
[M]+ 226.09883 151.0
[M]- 226.09993 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe