CID 71317474

3,7-dibromochromone

Structural Information

Molecular Formula
C9H4Br2O2
SMILES
C1=CC2=C(C=C1Br)OC=C(C2=O)Br
InChI
InChI=1S/C9H4Br2O2/c10-5-1-2-6-8(3-5)13-4-7(11)9(6)12/h1-4H
InChIKey
VRJRKKZNBPQORR-UHFFFAOYSA-N
Compound name
3,7-dibromochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.8578 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.865076 137.7
[M+Na]+ 324.847018 150.3
[M-H]- 300.850524 146.4
[M+NH4]+ 319.891623 157.0
[M+K]+ 340.820958 136.7
[M+H-H2O]+ 284.855060 146.4
[M+HCOO]- 346.856001 154.0
[M+CH3COO]- 360.871651 203.0
[M+Na-2H]- 322.832466 147.6
[M]+ 301.85725142 173.8
[M]- 301.85834858 173.8
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.