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 120.6
[M+Na]+ 152.01183 129.7
[M-H]- 128.01533 119.5
[M+NH4]+ 147.05643 141.7
[M+K]+ 167.98577 127.5
[M+H-H2O]+ 112.01987 114.6
[M+HCOO]- 174.02081 141.5
[M+CH3COO]- 188.03646 164.5
[M+Na-2H]- 149.99728 125.1
[M]+ 129.02206 117.2
[M]- 129.02316 117.2
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.