CID 59287847

5-bromo-3,4-dimethyl-9h-xanthen-9-one

Structural Information

Molecular Formula
C15H11BrO2
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)Br)C
InChI
InChI=1S/C15H11BrO2/c1-8-6-7-11-13(17)10-4-3-5-12(16)15(10)18-14(11)9(8)2/h3-7H,1-2H3
InChIKey
VHNBEPKDBMMDES-UHFFFAOYSA-N
Compound name
5-bromo-3,4-dimethylxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

301.99423 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00151 158.1
[M+Na]+ 324.98345 173.6
[M-H]- 300.98695 168.1
[M+NH4]+ 320.02805 178.6
[M+K]+ 340.95739 162.9
[M+H-H2O]+ 284.99149 157.8
[M+HCOO]- 346.99243 178.6
[M+CH3COO]- 361.00808 174.1
[M+Na-2H]- 322.96890 167.8
[M]+ 301.99368 181.8
[M]- 301.99478 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe