CID 69146

4-methoxybenzophenone

Structural Information

Molecular Formula
C14H12O2
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
SWFHGTMLYIBPPA-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

8301
Patents

212.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.090996 145.2
[M+Na]+ 235.072938 152.7
[M-H]- 211.076444 152.0
[M+NH4]+ 230.117543 163.6
[M+K]+ 251.046878 149.8
[M+H-H2O]+ 195.080980 138.0
[M+HCOO]- 257.081921 169.2
[M+CH3COO]- 271.097571 187.2
[M+Na-2H]- 233.058386 151.4
[M]+ 212.08317142 146.2
[M]- 212.08426858 146.2
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