CID 68582203

870061-72-6

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1COC2=C1C=CC=C2CBr
InChI
InChI=1S/C9H9BrO/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3H,4-6H2
InChIKey
MYQAQBAGQUQYET-UHFFFAOYSA-N
Compound name
7-(bromomethyl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

211.98367 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 140.2
[M+Na]+ 234.97289 152.2
[M-H]- 210.97639 148.0
[M+NH4]+ 230.01749 164.2
[M+K]+ 250.94683 142.9
[M+H-H2O]+ 194.98093 141.5
[M+HCOO]- 256.98187 160.9
[M+CH3COO]- 270.99752 156.3
[M+Na-2H]- 232.95834 148.8
[M]+ 211.98312 159.2
[M]- 211.98422 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