CID 70380

2,4,6-trimethylbenzophenone

Structural Information

Molecular Formula
C16H16O
SMILES
CC1=CC(=C(C(=C1)C)C(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKey
HPAFOABSQZMTHE-UHFFFAOYSA-N
Compound name
phenyl-(2,4,6-trimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

16761
Patents

224.12012 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12740 149.4
[M+Na]+ 247.10934 158.1
[M-H]- 223.11284 156.8
[M+NH4]+ 242.15394 168.1
[M+K]+ 263.08328 154.3
[M+H-H2O]+ 207.11738 142.6
[M+HCOO]- 269.11832 172.6
[M+CH3COO]- 283.13397 193.5
[M+Na-2H]- 245.09479 153.2
[M]+ 224.11957 150.5
[M]- 224.12067 150.5
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