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 144.4
[M+Na]+ 242.05877 154.1
[M-H]- 218.06227 148.2
[M+NH4]+ 237.10337 162.9
[M+K]+ 258.03271 150.4
[M+H-H2O]+ 202.06681 136.9
[M+HCOO]- 264.06775 166.0
[M+CH3COO]- 278.08340 186.1
[M+Na-2H]- 240.04422 146.7
[M]+ 219.06900 143.9
[M]- 219.07010 143.9
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

No patent data available for this compound.