CID 69551

3-fluorophthalic anhydride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1713
Patents

166.00662 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.01390 129.8
[M+Na]+ 188.99584 142.2
[M+NH4]+ 184.04044 138.0
[M+K]+ 204.96978 138.6
[M-H]- 164.99934 131.2
[M+Na-2H]- 186.98129 134.0
[M]+ 166.00607 131.8
[M]- 166.00717 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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