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]+ 171.000746 126.0
[M+Na]+ 192.982688 139.2
[M-H]- 168.986194 131.1
[M+NH4]+ 188.027293 149.6
[M+K]+ 208.956628 135.8
[M+H-H2O]+ 152.990730 121.4
[M+HCOO]- 214.991671 146.7
[M+CH3COO]- 229.007321 142.2
[M+Na-2H]- 190.968136 134.9
[M]+ 169.99292142 130.4
[M]- 169.99401858 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