CID 65479873

2-(2,5-dimethyl-1h-pyrrol-1-yl)-5-fluoropyridine

Structural Information

Molecular Formula
C11H11FN2
SMILES
CC1=CC=C(N1C2=NC=C(C=C2)F)C
InChI
InChI=1S/C11H11FN2/c1-8-3-4-9(2)14(8)11-6-5-10(12)7-13-11/h3-7H,1-2H3
InChIKey
ITXUHWIAELZFAO-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylpyrrol-1-yl)-5-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09790 138.2
[M+Na]+ 213.07984 149.1
[M-H]- 189.08334 141.9
[M+NH4]+ 208.12444 157.5
[M+K]+ 229.05378 145.3
[M+H-H2O]+ 173.08788 129.7
[M+HCOO]- 235.08882 160.7
[M+CH3COO]- 249.10447 184.4
[M+Na-2H]- 211.06529 142.6
[M]+ 190.09007 138.2
[M]- 190.09117 138.2
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.