CID 17750930

5-fluoro-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C9H6FNO2
SMILES
C1=CC2=C(C=C1F)C(=CN2)C(=O)O
InChI
InChI=1S/C9H6FNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
InChIKey
SDZBAXLIHRBNOV-UHFFFAOYSA-N
Compound name
5-fluoro-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

179.03825 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04553 133.9
[M+Na]+ 202.02747 145.9
[M+NH4]+ 197.07207 141.3
[M+K]+ 218.00141 142.4
[M-H]- 178.03097 132.9
[M+Na-2H]- 200.01292 138.8
[M]+ 179.03770 135.0
[M]- 179.03880 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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