CID 11031897

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

Structural Information

Molecular Formula
C5H4INO2
SMILES
C1=C(NC=C1I)C(=O)O
InChI
InChI=1S/C5H4INO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)
InChIKey
PGSPYCIHODWVMJ-UHFFFAOYSA-N
Compound name
4-iodo-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

236.92868 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.93596 132.8
[M+Na]+ 259.91790 134.5
[M-H]- 235.92140 126.2
[M+NH4]+ 254.96250 148.9
[M+K]+ 275.89184 138.2
[M+H-H2O]+ 219.92594 124.0
[M+HCOO]- 281.92688 149.4
[M+CH3COO]- 295.94253 174.1
[M+Na-2H]- 257.90335 125.2
[M]+ 236.92813 128.2
[M]- 236.92923 128.2
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

patents stripe