CID 19979350

2-(5-fluoro-1h-indol-3-yl)-2-oxoacetic acid

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC2=C(C=C1F)C(=CN2)C(=O)C(=O)O
InChI
InChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)7(4-12-8)9(13)10(14)15/h1-4,12H,(H,14,15)
InChIKey
BUUWYPUCENIMIQ-UHFFFAOYSA-N
Compound name
2-(5-fluoro-1H-indol-3-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

207.03317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.040446 138.7
[M+Na]+ 230.022388 148.9
[M-H]- 206.025894 139.0
[M+NH4]+ 225.066993 157.8
[M+K]+ 245.996328 145.0
[M+H-H2O]+ 190.030430 132.3
[M+HCOO]- 252.031371 158.7
[M+CH3COO]- 266.047021 180.2
[M+Na-2H]- 228.007836 142.8
[M]+ 207.03262142 138.1
[M]- 207.03371858 138.1
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