CID 132371553

5-bromo-3-(bromomethyl)-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C9H8Br2O
SMILES
C1C(C2=C(O1)C=CC(=C2)Br)CBr
InChI
InChI=1S/C9H8Br2O/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,6H,4-5H2
InChIKey
KKNOXMSKBCDJKA-UHFFFAOYSA-N
Compound name
5-bromo-3-(bromomethyl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.8942 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.90148 146.1
[M+Na]+ 312.88342 157.8
[M-H]- 288.88692 154.3
[M+NH4]+ 307.92802 167.1
[M+K]+ 328.85736 144.1
[M+H-H2O]+ 272.89146 155.2
[M+HCOO]- 334.89240 161.7
[M+CH3COO]- 348.90805 160.9
[M+Na-2H]- 310.86887 153.4
[M]+ 289.89365 180.7
[M]- 289.89475 180.7
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.