CID 57188281

3-bromo-5-methyl-1-benzofuran

Structural Information

Molecular Formula
C9H7BrO
SMILES
CC1=CC2=C(C=C1)OC=C2Br
InChI
InChI=1S/C9H7BrO/c1-6-2-3-9-7(4-6)8(10)5-11-9/h2-5H,1H3
InChIKey
YNSHAXUEWVBDRB-UHFFFAOYSA-N
Compound name
3-bromo-5-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

209.96803 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97531 135.2
[M+Na]+ 232.95725 140.8
[M+NH4]+ 228.00185 141.7
[M+K]+ 248.93119 141.3
[M-H]- 208.96075 138.0
[M+Na-2H]- 230.94270 139.4
[M]+ 209.96748 135.8
[M]- 209.96858 135.8
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