CID 130062932

4-bromo-6-methyl-1-benzofuran

Structural Information

Molecular Formula
C9H7BrO
SMILES
CC1=CC2=C(C=CO2)C(=C1)Br
InChI
InChI=1S/C9H7BrO/c1-6-4-8(10)7-2-3-11-9(7)5-6/h2-5H,1H3
InChIKey
DJDUWFUDLPTMNV-UHFFFAOYSA-N
Compound name
4-bromo-6-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.96803 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.975306 136.0
[M+Na]+ 232.957248 150.8
[M-H]- 208.960754 144.9
[M+NH4]+ 228.001853 160.7
[M+K]+ 248.931188 141.3
[M+H-H2O]+ 192.965290 137.5
[M+HCOO]- 254.966231 159.5
[M+CH3COO]- 268.981881 153.6
[M+Na-2H]- 230.942696 146.0
[M]+ 209.96748142 158.1
[M]- 209.96857858 158.1
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