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

19
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

literature stripe

Patent stripe

patents stripe