CID 2758586

1-(3,4-dimethylphenyl)-2-phenylethan-1-one

Structural Information

Molecular Formula
C16H16O
SMILES
CC1=C(C=C(C=C1)C(=O)CC2=CC=CC=C2)C
InChI
InChI=1S/C16H16O/c1-12-8-9-15(10-13(12)2)16(17)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey
PAPZMGGNYJDWLD-UHFFFAOYSA-N
Compound name
1-(3,4-dimethylphenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

224.12012 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12740 150.3
[M+Na]+ 247.10934 158.0
[M-H]- 223.11284 157.2
[M+NH4]+ 242.15394 168.6
[M+K]+ 263.08328 154.1
[M+H-H2O]+ 207.11738 143.2
[M+HCOO]- 269.11832 173.5
[M+CH3COO]- 283.13397 192.4
[M+Na-2H]- 245.09479 154.7
[M]+ 224.11957 151.0
[M]- 224.12067 151.0
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