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 139.2
[M-H]- 168.98619 131.1
[M+NH4]+ 188.02729 149.6
[M+K]+ 208.95663 135.8
[M+H-H2O]+ 152.99073 121.4
[M+HCOO]- 214.99167 146.7
[M+CH3COO]- 229.00732 142.2
[M+Na-2H]- 190.96814 134.9
[M]+ 169.99292 130.4
[M]- 169.99402 130.4
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