CID 145874676

7-bromo-2-(iodomethyl)-5-methyl-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C10H10BrIO
SMILES
CC1=CC2=C(C(=C1)Br)OC(C2)CI
InChI
InChI=1S/C10H10BrIO/c1-6-2-7-4-8(5-12)13-10(7)9(11)3-6/h2-3,8H,4-5H2,1H3
InChIKey
KYVJQNVQPANWIY-UHFFFAOYSA-N
Compound name
7-bromo-2-(iodomethyl)-5-methyl-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.89597 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.90325 154.6
[M+Na]+ 374.88519 160.6
[M-H]- 350.88869 155.8
[M+NH4]+ 369.92979 172.9
[M+K]+ 390.85913 156.5
[M+H-H2O]+ 334.89323 152.0
[M+HCOO]- 396.89417 169.9
[M+CH3COO]- 410.90982 198.0
[M+Na-2H]- 372.87064 149.7
[M]+ 351.89542 171.0
[M]- 351.89652 171.0
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.