CID 236566

5-fluoroisatin

Structural Information

Molecular Formula
C8H4FNO2
SMILES
C1=CC2=C(C=C1F)C(=O)C(=O)N2
InChI
InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey
GKODDAXOSGGARJ-UHFFFAOYSA-N
Compound name
5-fluoro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

1293
Patents

165.02261 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.029886 127.7
[M+Na]+ 188.011828 138.9
[M-H]- 164.015334 129.2
[M+NH4]+ 183.056433 149.7
[M+K]+ 203.985768 135.2
[M+H-H2O]+ 148.019870 121.8
[M+HCOO]- 210.020811 148.9
[M+CH3COO]- 224.036461 174.5
[M+Na-2H]- 185.997276 133.1
[M]+ 165.02206142 125.6
[M]- 165.02315858 125.6
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