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

15
Patents

205.05391 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.061186 140.1
[M+Na]+ 228.043128 149.4
[M-H]- 204.046634 143.7
[M+NH4]+ 223.087733 158.9
[M+K]+ 244.017068 145.9
[M+H-H2O]+ 188.051170 132.5
[M+HCOO]- 250.052111 162.1
[M+CH3COO]- 264.067761 182.0
[M+Na-2H]- 226.028576 143.7
[M]+ 205.05336142 138.9
[M]- 205.05445858 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