CID 43477149

1-(3-iodophenyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H8INO2
SMILES
C1=CC(=CC(=C1)I)N2C=CC=C2C(=O)O
InChI
InChI=1S/C11H8INO2/c12-8-3-1-4-9(7-8)13-6-2-5-10(13)11(14)15/h1-7H,(H,14,15)
InChIKey
BEHVWILOAHVACA-UHFFFAOYSA-N
Compound name
1-(3-iodophenyl)pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.96 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.96728 150.5
[M+Na]+ 335.94922 152.2
[M-H]- 311.95272 148.0
[M+NH4]+ 330.99382 164.3
[M+K]+ 351.92316 154.8
[M+H-H2O]+ 295.95726 140.1
[M+HCOO]- 357.95820 168.1
[M+CH3COO]- 371.97385 190.6
[M+Na-2H]- 333.93467 142.3
[M]+ 312.95945 147.7
[M]- 312.96055 147.7
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.