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 144.6
[M+Na]+ 264.98347 158.0
[M-H]- 240.98697 153.0
[M+NH4]+ 260.02807 169.8
[M+K]+ 280.95741 148.5
[M+H-H2O]+ 224.99151 146.7
[M+HCOO]- 286.99245 164.0
[M+CH3COO]- 301.00810 188.7
[M+Na-2H]- 262.96892 151.9
[M]+ 241.99370 164.5
[M]- 241.99480 164.5
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.