CID 3044876

2,4-dimethyl-4'-methoxybenzophenone

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C16H16O2/c1-11-4-9-15(12(2)10-11)16(17)13-5-7-14(18-3)8-6-13/h4-10H,1-3H3

InChIKey

MSAQSCNVYRPYBY-UHFFFAOYSA-N

Compound name

(2,4-dimethylphenyl)-(4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 240.11504 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.122316	153.1
[M+Na]+	263.104258	161.7
[M-H]-	239.107764	160.5
[M+NH4]+	258.148863	171.1
[M+K]+	279.078198	158.5
[M+H-H2O]+	223.112300	146.0
[M+HCOO]-	285.113241	176.5
[M+CH3COO]-	299.128891	195.6
[M+Na-2H]-	261.089706	156.9
[M]+	240.11449142	155.7
[M]-	240.11558858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe