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

10
Patents

207.03317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04045 138.7
[M+Na]+ 230.02239 148.9
[M-H]- 206.02589 139.0
[M+NH4]+ 225.06699 157.8
[M+K]+ 245.99633 145.0
[M+H-H2O]+ 190.03043 132.3
[M+HCOO]- 252.03137 158.7
[M+CH3COO]- 266.04702 180.2
[M+Na-2H]- 228.00784 142.8
[M]+ 207.03262 138.1
[M]- 207.03372 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