CID 52988095

220513-49-5

Structural Information

Molecular Formula
C8H7BrO
SMILES
C1C2=C(CO1)C=C(C=C2)Br
InChI
InChI=1S/C8H7BrO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5H2
InChIKey
NZZWXNMQOCNDKD-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dihydro-2-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

197.96803 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.97531 135.4
[M+Na]+ 220.95725 147.8
[M-H]- 196.96075 143.4
[M+NH4]+ 216.00185 159.9
[M+K]+ 236.93119 138.7
[M+H-H2O]+ 180.96529 136.8
[M+HCOO]- 242.96623 156.5
[M+CH3COO]- 256.98188 151.9
[M+Na-2H]- 218.94270 144.6
[M]+ 197.96748 154.1
[M]- 197.96858 154.1
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

patents stripe