CID 10058138

7-fluoroisatoic anhydride

Structural Information

Molecular Formula
C8H4FNO3
SMILES
C1=CC2=C(C=C1F)NC(=O)OC2=O
InChI
InChI=1S/C8H4FNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)
InChIKey
JEVWCMDHSLNNDR-UHFFFAOYSA-N
Compound name
7-fluoro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
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 128.6
[M+Na]+ 204.00674 141.0
[M-H]- 180.01024 131.1
[M+NH4]+ 199.05134 146.9
[M+K]+ 219.98068 138.3
[M+H-H2O]+ 164.01478 121.7
[M+HCOO]- 226.01572 149.7
[M+CH3COO]- 240.03137 176.7
[M+Na-2H]- 201.99219 138.3
[M]+ 181.01697 129.3
[M]- 181.01807 129.3
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