CID 344400

7471-76-3

Structural Information

Molecular Formula
C12H11BrO3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCBr
InChI
InChI=1S/C12H11BrO3/c1-8-6-12(14)16-11-7-9(15-5-4-13)2-3-10(8)11/h2-3,6-7H,4-5H2,1H3
InChIKey
XLLJFWFFIDCGMI-UHFFFAOYSA-N
Compound name
7-(2-bromoethoxy)-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

281.98917 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99645 151.5
[M+Na]+ 304.97839 164.6
[M-H]- 280.98189 159.8
[M+NH4]+ 300.02299 171.5
[M+K]+ 320.95233 155.0
[M+H-H2O]+ 264.98643 151.4
[M+HCOO]- 326.98737 172.3
[M+CH3COO]- 341.00302 196.2
[M+Na-2H]- 302.96384 160.7
[M]+ 281.98862 174.9
[M]- 281.98972 174.9
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

No patent data available for this compound.