CID 78393

Bis(3,4-dimethylphenyl)methanone

Structural Information

Molecular Formula
C17H18O
SMILES
CC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)C)C)C
InChI
InChI=1S/C17H18O/c1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKey
FKFVCCPWFITRSN-UHFFFAOYSA-N
Compound name
bis(3,4-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

901
Patents

238.13577 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14305 155.5
[M+Na]+ 261.12499 171.7
[M+NH4]+ 256.16959 164.8
[M+K]+ 277.09893 163.2
[M-H]- 237.12849 160.9
[M+Na-2H]- 259.11044 164.8
[M]+ 238.13522 159.6
[M]- 238.13632 159.6
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