CID 727844

1-(4-fluorophenyl)pyrrole

Structural Information

Molecular Formula
C10H8FN
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H8FN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H
InChIKey
YMAPGGZDHAHLGN-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

161.06407 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07135 129.3
[M+Na]+ 184.05329 138.7
[M-H]- 160.05679 133.9
[M+NH4]+ 179.09789 150.6
[M+K]+ 200.02723 135.5
[M+H-H2O]+ 144.06133 121.6
[M+HCOO]- 206.06227 153.6
[M+CH3COO]- 220.07792 143.7
[M+Na-2H]- 182.03874 135.8
[M]+ 161.06352 127.7
[M]- 161.06462 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe