CID 111774

1-(methoxymethyl)-4-benzoylbenzene

Structural Information

Molecular Formula
C15H14O2
SMILES
COCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-17-11-12-7-9-14(10-8-12)15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
NLNLATCMOFUMFV-UHFFFAOYSA-N
Compound name
[4-(methoxymethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

226.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 149.9
[M+Na]+ 249.08860 157.0
[M-H]- 225.09210 156.6
[M+NH4]+ 244.13320 167.7
[M+K]+ 265.06254 153.9
[M+H-H2O]+ 209.09664 142.5
[M+HCOO]- 271.09758 173.6
[M+CH3COO]- 285.11323 190.2
[M+Na-2H]- 247.07405 155.5
[M]+ 226.09883 151.2
[M]- 226.09993 151.2
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