CID 66392358

5-bromo-2-(iodomethyl)-2,3-dihydrobenzofuran

Structural Information

Molecular Formula
C9H8BrIO
SMILES
C1C(OC2=C1C=C(C=C2)Br)CI
InChI
InChI=1S/C9H8BrIO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8H,4-5H2
InChIKey
SBYZEICPPQPFLY-UHFFFAOYSA-N
Compound name
5-bromo-2-(iodomethyl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.88034 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.88762 150.7
[M+Na]+ 360.86956 156.3
[M-H]- 336.87306 151.7
[M+NH4]+ 355.91416 169.2
[M+K]+ 376.84350 152.5
[M+H-H2O]+ 320.87760 148.1
[M+HCOO]- 382.87854 166.3
[M+CH3COO]- 396.89419 194.3
[M+Na-2H]- 358.85501 146.9
[M]+ 337.87979 166.5
[M]- 337.88089 166.5
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

No patent data available for this compound.