CID 43316762

4-(4-fluorophenyl)-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C11H8FNO2
SMILES
C1=CC(=CC=C1C2=CNC=C2C(=O)O)F
InChI
InChI=1S/C11H8FNO2/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKey
ZIVPFZMWENLWSN-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

205.05391 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.061186 140.7
[M+Na]+ 228.043128 149.5
[M-H]- 204.046634 142.9
[M+NH4]+ 223.087733 158.7
[M+K]+ 244.017068 145.1
[M+H-H2O]+ 188.051170 133.3
[M+HCOO]- 250.052111 161.2
[M+CH3COO]- 264.067761 179.4
[M+Na-2H]- 226.028576 143.8
[M]+ 205.05336142 137.5
[M]- 205.05445858 137.5
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