CID 131383958

2092225-00-6

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC1(CCC2=C(C1=O)C=C(O2)Br)C
InChI
InChI=1S/C10H11BrO2/c1-10(2)4-3-7-6(9(10)12)5-8(11)13-7/h5H,3-4H2,1-2H3
InChIKey
VHGMPIAHCWBUBY-UHFFFAOYSA-N
Compound name
2-bromo-5,5-dimethyl-6,7-dihydro-1-benzofuran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99425 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 147.0
[M+Na]+ 264.98347 149.9
[M+NH4]+ 260.02807 153.7
[M+K]+ 280.95741 149.8
[M-H]- 240.98697 148.6
[M+Na-2H]- 262.96892 149.1
[M]+ 241.99370 146.8
[M]- 241.99480 146.8
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.