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]+ 241.12232 153.9
[M+Na]+ 263.10426 161.5
[M-H]- 239.10776 160.9
[M+NH4]+ 258.14886 171.5
[M+K]+ 279.07820 158.2
[M+H-H2O]+ 223.11230 146.5
[M+HCOO]- 285.11324 177.3
[M+CH3COO]- 299.12889 194.4
[M+Na-2H]- 261.08971 158.3
[M]+ 240.11449 156.1
[M]- 240.11559 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