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 145.9
[M+Na]+ 260.03295 156.3
[M-H]- 236.03645 147.3
[M+NH4]+ 255.07755 164.8
[M+K]+ 276.00689 152.9
[M+H-H2O]+ 220.04099 139.5
[M+HCOO]- 282.04193 165.5
[M+CH3COO]- 296.05758 189.2
[M+Na-2H]- 258.01840 148.0
[M]+ 237.04318 146.8
[M]- 237.04428 146.8
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.