CID 55297443

4-fluoro-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C5H4FNO2
SMILES
C1=C(NC=C1F)C(=O)O
InChI
InChI=1S/C5H4FNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKey
PTARRKAHMJKQLQ-UHFFFAOYSA-N
Compound name
4-fluoro-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

129.02261 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe