CID 17848

Bis(3-methylphenyl)methanone

Structural Information

Molecular Formula
C15H14O
SMILES
CC1=CC(=CC=C1)C(=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C15H14O/c1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKey
CGXDIDXEMHMPIX-UHFFFAOYSA-N
Compound name
bis(3-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

865
Patents

210.10446 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 147.0
[M+Na]+ 233.09368 162.9
[M+NH4]+ 228.13828 156.7
[M+K]+ 249.06762 154.5
[M-H]- 209.09718 152.4
[M+Na-2H]- 231.07913 157.3
[M]+ 210.10391 151.1
[M]- 210.10501 151.1
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