CID 167718869

8-bromo-3,4-dihydrospiro[1-benzopyran-2,1'-cyclobutan]-4-one

Structural Information

Molecular Formula
C12H11BrO2
SMILES
C1CC2(C1)CC(=O)C3=C(O2)C(=CC=C3)Br
InChI
InChI=1S/C12H11BrO2/c13-9-4-1-3-8-10(14)7-12(5-2-6-12)15-11(8)9/h1,3-4H,2,5-7H2
InChIKey
ZEAKJWLXSCNXKY-UHFFFAOYSA-N
Compound name
8-bromospiro[3H-chromene-2,1'-cyclobutane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.99423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00151 138.0
[M+Na]+ 288.98345 148.5
[M-H]- 264.98695 147.6
[M+NH4]+ 284.02805 154.4
[M+K]+ 304.95739 142.2
[M+H-H2O]+ 248.99149 134.6
[M+HCOO]- 310.99243 154.7
[M+CH3COO]- 325.00808 195.0
[M+Na-2H]- 286.96890 148.0
[M]+ 265.99368 163.1
[M]- 265.99478 163.1
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.