CID 3790709

3-bromo-2-ethyl-1-benzofuran

Structural Information

Molecular Formula
C10H9BrO
SMILES
CCC1=C(C2=CC=CC=C2O1)Br
InChI
InChI=1S/C10H9BrO/c1-2-8-10(11)7-5-3-4-6-9(7)12-8/h3-6H,2H2,1H3
InChIKey
PSOKQSNKTAQFKV-UHFFFAOYSA-N
Compound name
3-bromo-2-ethyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

223.98367 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 140.9
[M+Na]+ 246.97289 155.3
[M-H]- 222.97639 149.7
[M+NH4]+ 242.01749 165.0
[M+K]+ 262.94683 145.5
[M+H-H2O]+ 206.98093 142.2
[M+HCOO]- 268.98187 164.0
[M+CH3COO]- 282.99752 158.0
[M+Na-2H]- 244.95834 150.3
[M]+ 223.98312 163.3
[M]- 223.98422 163.3
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