CID 17390044

1-(4-fluorophenyl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C11H8FNO2
SMILES
C1=CN(C(=C1)C(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H8FNO2/c12-8-3-5-9(6-4-8)13-7-1-2-10(13)11(14)15/h1-7H,(H,14,15)
InChIKey
YHOQBALKYXZCAA-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

205.05391 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06119 140.1
[M+Na]+ 228.04313 149.4
[M-H]- 204.04663 143.7
[M+NH4]+ 223.08773 158.9
[M+K]+ 244.01707 145.9
[M+H-H2O]+ 188.05117 132.5
[M+HCOO]- 250.05211 162.1
[M+CH3COO]- 264.06776 182.0
[M+Na-2H]- 226.02858 143.7
[M]+ 205.05336 138.9
[M]- 205.05446 138.9
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