CID 473469

2,4-dimethyl-9h-xanthen-9-one

Structural Information

Molecular Formula
C15H12O2
SMILES
CC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3O2)C
InChI
InChI=1S/C15H12O2/c1-9-7-10(2)15-12(8-9)14(16)11-5-3-4-6-13(11)17-15/h3-8H,1-2H3
InChIKey
BKTXTUFORFGYKU-UHFFFAOYSA-N
Compound name
2,4-dimethylxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

224.08372 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 144.8
[M+Na]+ 247.07294 157.6
[M-H]- 223.07644 152.5
[M+NH4]+ 242.11754 164.9
[M+K]+ 263.04688 154.3
[M+H-H2O]+ 207.08098 138.3
[M+HCOO]- 269.08192 168.2
[M+CH3COO]- 283.09757 160.0
[M+Na-2H]- 245.05839 155.1
[M]+ 224.08317 150.1
[M]- 224.08427 150.1
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