CID 5200303

1-{4-[(3-methylphenyl)methoxy]phenyl}ethan-1-one

Structural Information

Molecular Formula
C16H16O2
SMILES
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C16H16O2/c1-12-4-3-5-14(10-12)11-18-16-8-6-15(7-9-16)13(2)17/h3-10H,11H2,1-2H3
InChIKey
YGHXJHBIGWIVNU-UHFFFAOYSA-N
Compound name
1-[4-[(3-methylphenyl)methoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 153.9
[M+Na]+ 263.104258 161.5
[M-H]- 239.107764 160.9
[M+NH4]+ 258.148863 171.5
[M+K]+ 279.078198 158.2
[M+H-H2O]+ 223.112300 146.5
[M+HCOO]- 285.113241 177.3
[M+CH3COO]- 299.128891 194.4
[M+Na-2H]- 261.089706 158.3
[M]+ 240.11449142 156.1
[M]- 240.11558858 156.1
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