CID 104246104

6-chloro-7-fluoro-1-benzofuran

Structural Information

Molecular Formula
C8H4ClFO
SMILES
C1=CC(=C(C2=C1C=CO2)F)Cl
InChI
InChI=1S/C8H4ClFO/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4H
InChIKey
KZERWBYBXMOLST-UHFFFAOYSA-N
Compound name
6-chloro-7-fluoro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.99347 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.00075 126.0
[M+Na]+ 192.98269 141.6
[M+NH4]+ 188.02729 136.3
[M+K]+ 208.95663 135.7
[M-H]- 168.98619 129.3
[M+Na-2H]- 190.96814 133.6
[M]+ 169.99292 129.6
[M]- 169.99402 129.6
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