CID 586418

7-fluoroisatin

Structural Information

Molecular Formula
C8H4FNO2
SMILES
C1=CC2=C(C(=C1)F)NC(=O)C2=O
InChI
InChI=1S/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
InChIKey
HGBGVEOXPHGSOS-UHFFFAOYSA-N
Compound name
7-fluoro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

367
Patents

165.02261 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02989 127.7
[M+Na]+ 188.01183 138.9
[M-H]- 164.01533 129.2
[M+NH4]+ 183.05643 149.7
[M+K]+ 203.98577 135.2
[M+H-H2O]+ 148.01987 121.8
[M+HCOO]- 210.02081 148.9
[M+CH3COO]- 224.03646 174.5
[M+Na-2H]- 185.99728 133.1
[M]+ 165.02206 125.6
[M]- 165.02316 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