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

28
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 139.0
[M+Na]+ 238.94782 152.3
[M-H]- 214.95132 146.0
[M+NH4]+ 233.99242 163.0
[M+K]+ 254.92176 142.7
[M+H-H2O]+ 198.95586 139.6
[M+HCOO]- 260.95680 159.0
[M+CH3COO]- 274.97245 155.2
[M+Na-2H]- 236.93327 146.8
[M]+ 215.95805 156.9
[M]- 215.95915 156.9
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