CID 155943716

7-bromo-1,3-dihydrospiro[2-benzopyran-4,1'-cyclopropane]-1,3-dione

Structural Information

Molecular Formula
C11H7BrO3
SMILES
C1CC12C3=C(C=C(C=C3)Br)C(=O)OC2=O
InChI
InChI=1S/C11H7BrO3/c12-6-1-2-8-7(5-6)9(13)15-10(14)11(8)3-4-11/h1-2,5H,3-4H2
InChIKey
QUFLVZKTNZKOPL-UHFFFAOYSA-N
Compound name
7'-bromospiro[cyclopropane-1,4'-isochromene]-1',3'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.95786 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96514 150.6
[M+Na]+ 288.94708 165.6
[M-H]- 264.95058 161.6
[M+NH4]+ 283.99168 168.5
[M+K]+ 304.92102 156.1
[M+H-H2O]+ 248.95512 151.1
[M+HCOO]- 310.95606 168.8
[M+CH3COO]- 324.97171 165.9
[M+Na-2H]- 286.93253 159.9
[M]+ 265.95731 171.8
[M]- 265.95841 171.8
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.