CID 14365710

121146-18-7

Structural Information

Molecular Formula
C10H9BrO2
SMILES
CCC1C2=C(C=C(C=C2)Br)C(=O)O1
InChI
InChI=1S/C10H9BrO2/c1-2-9-7-4-3-6(11)5-8(7)10(12)13-9/h3-5,9H,2H2,1H3
InChIKey
UGUYFSKFXCUNFI-UHFFFAOYSA-N
Compound name
6-bromo-3-ethyl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97859 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98587 145.2
[M+Na]+ 262.96781 158.7
[M-H]- 238.97131 153.6
[M+NH4]+ 258.01241 168.6
[M+K]+ 278.94175 148.9
[M+H-H2O]+ 222.97585 146.5
[M+HCOO]- 284.97679 165.9
[M+CH3COO]- 298.99244 188.8
[M+Na-2H]- 260.95326 152.2
[M]+ 239.97804 166.0
[M]- 239.97914 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.