CID 22571869

7-bromo-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C8H7BrO
SMILES
C1COC2=C1C=CC=C2Br
InChI
InChI=1S/C8H7BrO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3H,4-5H2
InChIKey
VGOUXHRZQNPOPY-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

197.96803 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.975306 135.4
[M+Na]+ 220.957248 147.8
[M-H]- 196.960754 143.4
[M+NH4]+ 216.001853 159.9
[M+K]+ 236.931188 138.7
[M+H-H2O]+ 180.965290 136.8
[M+HCOO]- 242.966231 156.5
[M+CH3COO]- 256.981881 151.9
[M+Na-2H]- 218.942696 144.6
[M]+ 197.96748142 154.1
[M]- 197.96857858 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