CID 128870

88404-25-5

Structural Information

Molecular Formula
C12H11BrO4
SMILES
COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
InChI
InChI=1S/C12H11BrO4/c1-15-10-4-8-7(6-13)3-12(14)17-9(8)5-11(10)16-2/h3-5H,6H2,1-2H3
InChIKey
JGODLBJJCNQFII-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-6,7-dimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

205
Patents

297.98407 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99135 152.4
[M+Na]+ 320.97329 157.8
[M+NH4]+ 316.01789 157.0
[M+K]+ 336.94723 157.7
[M-H]- 296.97679 154.3
[M+Na-2H]- 318.95874 155.3
[M]+ 297.98352 152.7
[M]- 297.98462 152.7
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