CID 1956286

2h-1-benzopyran-2-one, 7-(2-bromoethoxy)-

Structural Information

Molecular Formula
C11H9BrO3
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OCCBr
InChI
InChI=1S/C11H9BrO3/c12-5-6-14-9-3-1-8-2-4-11(13)15-10(8)7-9/h1-4,7H,5-6H2
InChIKey
UVZZJDAWINTTQK-UHFFFAOYSA-N
Compound name
7-(2-bromoethoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

267.9735 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98078 147.1
[M+Na]+ 290.96272 159.8
[M-H]- 266.96622 155.2
[M+NH4]+ 286.00732 167.3
[M+K]+ 306.93666 150.3
[M+H-H2O]+ 250.97076 147.1
[M+HCOO]- 312.97170 168.2
[M+CH3COO]- 326.98735 192.3
[M+Na-2H]- 288.94817 157.5
[M]+ 267.97295 169.8
[M]- 267.97405 169.8
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

No patent data available for this compound.