CID 67572

4-fluorophthalic anhydride

Structural Information

Molecular Formula
C8H3FO3
SMILES
C1=CC2=C(C=C1F)C(=O)OC2=O
InChI
InChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey
XVMKZAAFVWXIII-UHFFFAOYSA-N
Compound name
5-fluoro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1858
Patents

166.00662 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.013896 124.8
[M+Na]+ 188.995838 136.4
[M-H]- 164.999344 129.8
[M+NH4]+ 184.040443 147.5
[M+K]+ 204.969778 135.2
[M+H-H2O]+ 149.003880 119.7
[M+HCOO]- 211.004821 148.1
[M+CH3COO]- 225.020471 176.5
[M+Na-2H]- 186.981286 131.9
[M]+ 166.00607142 126.1
[M]- 166.00716858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe