CID 66545161

(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1COC2=C1C=C(C=C2Br)CO
InChI
InChI=1S/C9H9BrO2/c10-8-4-6(5-11)3-7-1-2-12-9(7)8/h3-4,11H,1-2,5H2
InChIKey
FUUZXKAWKKIDRQ-UHFFFAOYSA-N
Compound name
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

227.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 143.4
[M+Na]+ 250.96781 155.6
[M-H]- 226.97131 150.2
[M+NH4]+ 246.01241 166.3
[M+K]+ 266.94175 145.8
[M+H-H2O]+ 210.97585 144.7
[M+HCOO]- 272.97679 162.8
[M+CH3COO]- 286.99244 183.2
[M+Na-2H]- 248.95326 150.9
[M]+ 227.97804 162.3
[M]- 227.97914 162.3
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