CID 49806536

1244957-89-8

Structural Information

Molecular Formula
C18H14Cl2FN3O3S
SMILES
C1=CC(=C(C(=C1)Cl)S(=O)(=O)NC2=CC=C(N2)C(=O)NCC3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C18H14Cl2FN3O3S/c19-13-2-1-3-14(20)17(13)28(26,27)24-16-9-8-15(23-16)18(25)22-10-11-4-6-12(21)7-5-11/h1-9,23-24H,10H2,(H,22,25)
InChIKey
WJIQFWRKMUHXSB-UHFFFAOYSA-N
Compound name
5-[(2,6-dichlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

441.0117 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.01898 196.3
[M+Na]+ 464.00092 205.3
[M-H]- 440.00442 202.7
[M+NH4]+ 459.04552 206.8
[M+K]+ 479.97486 196.8
[M+H-H2O]+ 424.00896 188.7
[M+HCOO]- 486.00990 203.7
[M+CH3COO]- 500.02555 223.2
[M+Na-2H]- 461.98637 196.2
[M]+ 441.01115 199.9
[M]- 441.01225 199.9
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