CID 140637

19997-53-6

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1C(OC2=CC=CC=C21)CBr
InChI
InChI=1S/C9H9BrO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8H,5-6H2
InChIKey
QYFBYHXEEODTMX-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

211.98367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 140.2
[M+Na]+ 234.972888 152.2
[M-H]- 210.976394 148.0
[M+NH4]+ 230.017493 164.2
[M+K]+ 250.946828 142.9
[M+H-H2O]+ 194.980930 141.5
[M+HCOO]- 256.981871 160.9
[M+CH3COO]- 270.997521 156.3
[M+Na-2H]- 232.958336 148.8
[M]+ 211.98312142 159.2
[M]- 211.98421858 159.2
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