CID 12274022

Bis(2,4-dimethylphenyl)methanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

238.13577 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.143046 153.2
[M+Na]+ 261.124988 162.3
[M-H]- 237.128494 160.7
[M+NH4]+ 256.169593 171.6
[M+K]+ 277.098928 158.4
[M+H-H2O]+ 221.133030 146.4
[M+HCOO]- 283.133971 176.0
[M+CH3COO]- 297.149621 197.7
[M+Na-2H]- 259.110436 155.8
[M]+ 238.13522142 155.1
[M]- 238.13631858 155.1
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