CID 3021801

1h-pyrrole, 1-(4-fluorophenyl)-2-phenyl-5-(2-thienyl)-

Structural Information

Molecular Formula
C20H14FNS
SMILES
C1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)F)C4=CC=CS4
InChI
InChI=1S/C20H14FNS/c21-16-8-10-17(11-9-16)22-18(15-5-2-1-3-6-15)12-13-19(22)20-7-4-14-23-20/h1-14H
InChIKey
JIJYJJFEBIJPFF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-phenyl-5-thiophen-2-ylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0831 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09038 172.2
[M+Na]+ 342.07232 184.1
[M-H]- 318.07582 184.4
[M+NH4]+ 337.11692 189.7
[M+K]+ 358.04626 176.8
[M+H-H2O]+ 302.08036 163.7
[M+HCOO]- 364.08130 193.5
[M+CH3COO]- 378.09695 185.4
[M+Na-2H]- 340.05777 171.3
[M]+ 319.08255 175.0
[M]- 319.08365 175.0
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.