CID 611410

54965-04-7

Structural Information

Molecular Formula
C9H7BrO
SMILES
CC1=CC2=C(O1)C=CC(=C2)Br
InChI
InChI=1S/C9H7BrO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3
InChIKey
QNVLXPOMZVHZNF-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
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

literature stripe

Patent stripe

patents stripe