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]+ 290.901476 146.1
[M+Na]+ 312.883418 157.8
[M-H]- 288.886924 154.3
[M+NH4]+ 307.928023 167.1
[M+K]+ 328.857358 144.1
[M+H-H2O]+ 272.891460 155.2
[M+HCOO]- 334.892401 161.7
[M+CH3COO]- 348.908051 160.9
[M+Na-2H]- 310.868866 153.4
[M]+ 289.89365142 180.7
[M]- 289.89474858 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.