CID 456925

1-(4-fluorophenyl)-2-methyl-5-phenyl-1h-pyrrole

Structural Information

Molecular Formula
C17H14FN
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C17H14FN/c1-13-7-12-17(14-5-3-2-4-6-14)19(13)16-10-8-15(18)9-11-16/h2-12H,1H3
InChIKey
VLIZDFOLEKTLAO-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.11102 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11830 155.6
[M+Na]+ 274.10024 165.2
[M-H]- 250.10374 163.4
[M+NH4]+ 269.14484 173.2
[M+K]+ 290.07418 159.3
[M+H-H2O]+ 234.10828 146.2
[M+HCOO]- 296.10922 178.8
[M+CH3COO]- 310.12487 168.6
[M+Na-2H]- 272.08569 158.9
[M]+ 251.11047 154.6
[M]- 251.11157 154.6
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

patents stripe