CID 456920

1-(4-fluorophenyl)-2-(4-chlorophenyl)-5-methylpyrrole

Structural Information

Molecular Formula
C17H13ClFN
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClFN/c1-12-2-11-17(13-3-5-14(18)6-4-13)20(12)16-9-7-15(19)8-10-16/h2-11H,1H3
InChIKey
FDXQKGUSUYTSMJ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07205 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07933 163.2
[M+Na]+ 308.06127 174.5
[M-H]- 284.06477 171.0
[M+NH4]+ 303.10587 180.6
[M+K]+ 324.03521 166.9
[M+H-H2O]+ 268.06931 154.3
[M+HCOO]- 330.07025 181.7
[M+CH3COO]- 344.08590 176.0
[M+Na-2H]- 306.04672 165.2
[M]+ 285.07150 164.8
[M]- 285.07260 164.8
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.