CID 20509979

79444-77-2

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1=CC(=CC2=C1C=CO2)CBr
InChI
InChI=1S/C9H7BrO/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5H,6H2
InChIKey
FIPGKYDAXNUDCW-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

209.96803 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.975306 136.5
[M+Na]+ 232.957248 150.5
[M-H]- 208.960754 145.1
[M+NH4]+ 228.001853 160.8
[M+K]+ 248.931188 140.9
[M+H-H2O]+ 192.965290 137.8
[M+HCOO]- 254.966231 160.0
[M+CH3COO]- 268.981881 153.7
[M+Na-2H]- 230.942696 147.1
[M]+ 209.96748142 158.3
[M]- 209.96857858 158.3
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