CID 10081925

742079-90-9

Structural Information

Molecular Formula
C8H5BrO2
SMILES
C1C2=C(C=C(C=C2)Br)OC1=O
InChI
InChI=1S/C8H5BrO2/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-2,4H,3H2
InChIKey
GWQMGPYFGNRFHC-UHFFFAOYSA-N
Compound name
6-bromo-3H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.9473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.954576 136.2
[M+Na]+ 234.936518 149.6
[M-H]- 210.940024 144.5
[M+NH4]+ 229.981123 160.3
[M+K]+ 250.910458 140.4
[M+H-H2O]+ 194.944560 137.7
[M+HCOO]- 256.945501 157.6
[M+CH3COO]- 270.961151 182.0
[M+Na-2H]- 232.921966 144.8
[M]+ 211.94675142 155.9
[M]- 211.94784858 155.9
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

patents stripe