CID 20118548

3-(6-fluoro-2,3-dioxo-2,3-dihydro-1h-indol-1-yl)propanoic acid

Structural Information

Molecular Formula
C11H8FNO4
SMILES
C1=CC2=C(C=C1F)N(C(=O)C2=O)CCC(=O)O
InChI
InChI=1S/C11H8FNO4/c12-6-1-2-7-8(5-6)13(4-3-9(14)15)11(17)10(7)16/h1-2,5H,3-4H2,(H,14,15)
InChIKey
NDBRGBUSAXNPBY-UHFFFAOYSA-N
Compound name
3-(6-fluoro-2,3-dioxoindol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.04373 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05101 150.5
[M+Na]+ 260.03295 160.6
[M+NH4]+ 255.07755 156.0
[M+K]+ 276.00689 158.0
[M-H]- 236.03645 148.1
[M+Na-2H]- 258.01840 152.0
[M]+ 237.04318 150.8
[M]- 237.04428 150.8
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

No patent data available for this compound.