CID 288560

5-fluoroisatoic anhydride

Structural Information

Molecular Formula
C8H4FNO3
SMILES
C1=CC2=C(C=C1F)C(=O)OC(=O)N2
InChI
InChI=1S/C8H4FNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)
InChIKey
UBKGOWGNYKVYEF-UHFFFAOYSA-N
Compound name
6-fluoro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

367
Patents

181.01752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02480 131.9
[M+Na]+ 204.00674 146.4
[M+NH4]+ 199.05134 139.2
[M+K]+ 219.98068 140.8
[M-H]- 180.01024 133.0
[M+Na-2H]- 201.99219 137.7
[M]+ 181.01697 134.2
[M]- 181.01807 134.2
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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