CID 4149171

88735-43-7

Structural Information

Molecular Formula
C15H9BrO3
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)CBr
InChI
InChI=1S/C15H9BrO3/c16-8-13(17)12-7-11-10-4-2-1-3-9(10)5-6-14(11)19-15(12)18/h1-7H,8H2
InChIKey
ATGMCRFENOHNLE-UHFFFAOYSA-N
Compound name
2-(2-bromoacetyl)benzo[f]chromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.9735 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98078 160.2
[M+Na]+ 338.96272 173.8
[M-H]- 314.96622 169.5
[M+NH4]+ 334.00732 179.3
[M+K]+ 354.93666 163.5
[M+H-H2O]+ 298.97076 159.6
[M+HCOO]- 360.97170 180.2
[M+CH3COO]- 374.98735 175.3
[M+Na-2H]- 336.94817 170.2
[M]+ 315.97295 183.3
[M]- 315.97405 183.3
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