CID 3021800

1h-pyrrole, 1-(4-chlorophenyl)-2-methyl-5-(2-thienyl)-

Structural Information

Molecular Formula
C15H12ClNS
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)Cl)C3=CC=CS3
InChI
InChI=1S/C15H12ClNS/c1-11-4-9-14(15-3-2-10-18-15)17(11)13-7-5-12(16)6-8-13/h2-10H,1H3
InChIKey
WEBLDMGPLLTAHC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methyl-5-thiophen-2-ylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0379 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04518 161.1
[M+Na]+ 296.02712 174.2
[M-H]- 272.03062 171.6
[M+NH4]+ 291.07172 181.9
[M+K]+ 312.00106 167.5
[M+H-H2O]+ 256.03516 154.9
[M+HCOO]- 318.03610 178.8
[M+CH3COO]- 332.05175 175.5
[M+Na-2H]- 294.01257 160.5
[M]+ 273.03735 167.5
[M]- 273.03845 167.5
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.