CID 84038368

4-fluoro-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C5H4FNO2
SMILES
C1=C(C(=CN1)F)C(=O)O
InChI
InChI=1S/C5H4FNO2/c6-4-2-7-1-3(4)5(8)9/h1-2,7H,(H,8,9)
InChIKey
UIMLFXHIBCVTEH-UHFFFAOYSA-N
Compound name
4-fluoro-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.02261 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.02989 123.4
[M+Na]+ 152.01183 132.9
[M+NH4]+ 147.05643 130.0
[M+K]+ 167.98577 130.8
[M-H]- 128.01533 121.0
[M+Na-2H]- 149.99728 127.0
[M]+ 129.02206 123.6
[M]- 129.02316 123.6
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.

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No patent data available for this compound.