CID 83397410

1432609-54-5

Structural Information

Molecular Formula
C8H6BrFO
SMILES
C1COC2=C1C=C(C=C2Br)F
InChI
InChI=1S/C8H6BrFO/c9-7-4-6(10)3-5-1-2-11-8(5)7/h3-4H,1-2H2
InChIKey
YMTDRJZBYRHXTD-UHFFFAOYSA-N
Compound name
7-bromo-5-fluoro-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

215.9586 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96588 141.3
[M+Na]+ 238.94782 144.6
[M+NH4]+ 233.99242 147.0
[M+K]+ 254.92176 145.4
[M-H]- 214.95132 142.3
[M+Na-2H]- 236.93327 143.2
[M]+ 215.95805 140.9
[M]- 215.95915 140.9
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