CID 24277795

5-(4-fluorophenyl)-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C12H10FNO2
SMILES
CN1C(=CC=C1C(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H10FNO2/c1-14-10(6-7-11(14)12(15)16)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16)
InChIKey
KGAUEEYVIWDUGX-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06955 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07683 148.2
[M+Na]+ 242.05877 160.5
[M+NH4]+ 237.10337 155.3
[M+K]+ 258.03271 156.5
[M-H]- 218.06227 149.1
[M+Na-2H]- 240.04422 154.4
[M]+ 219.06900 150.0
[M]- 219.07010 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.