CID 10535393

8-fluoroisatoic anhydride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

181.01752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.024796 128.6
[M+Na]+ 204.006738 141.0
[M-H]- 180.010244 131.1
[M+NH4]+ 199.051343 146.9
[M+K]+ 219.980678 138.3
[M+H-H2O]+ 164.014780 121.7
[M+HCOO]- 226.015721 149.7
[M+CH3COO]- 240.031371 176.7
[M+Na-2H]- 201.992186 138.3
[M]+ 181.01697142 129.3
[M]- 181.01806858 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