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]+ 220.076826 144.4
[M+Na]+ 242.058768 154.1
[M-H]- 218.062274 148.2
[M+NH4]+ 237.103373 162.9
[M+K]+ 258.032708 150.4
[M+H-H2O]+ 202.066810 136.9
[M+HCOO]- 264.067751 166.0
[M+CH3COO]- 278.083401 186.1
[M+Na-2H]- 240.044216 146.7
[M]+ 219.06900142 143.9
[M]- 219.07009858 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.