CID 4197451

6-bromo-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C9H7BrO2
SMILES
C1COC2=C(C1=O)C=C(C=C2)Br
InChI
InChI=1S/C9H7BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey
PFLPVOXSUCCZDH-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

439
Patents

225.96294 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97022 138.1
[M+Na]+ 248.95216 149.9
[M-H]- 224.95566 146.0
[M+NH4]+ 243.99676 159.8
[M+K]+ 264.92610 140.7
[M+H-H2O]+ 208.96020 138.8
[M+HCOO]- 270.96114 157.1
[M+CH3COO]- 284.97679 185.2
[M+Na-2H]- 246.93761 147.8
[M]+ 225.96239 156.2
[M]- 225.96349 156.2
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