CID 464846

180905-87-7

Structural Information

Molecular Formula
C18H15FN2O3S
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=CN2S(=O)(=O)C3=CC=CC=C3F
InChI
InChI=1S/C18H15FN2O3S/c19-15-9-4-5-11-17(15)25(23,24)21-12-6-10-16(21)18(22)20-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,22)
InChIKey
JNLMAPAKDMAOPB-UHFFFAOYSA-N
Compound name
N-benzyl-1-(2-fluorophenyl)sulfonylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.07874 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.08602 181.5
[M+Na]+ 381.06796 189.6
[M-H]- 357.07146 189.3
[M+NH4]+ 376.11256 194.4
[M+K]+ 397.04190 183.8
[M+H-H2O]+ 341.07600 172.2
[M+HCOO]- 403.07694 199.0
[M+CH3COO]- 417.09259 210.4
[M+Na-2H]- 379.05341 183.1
[M]+ 358.07819 183.0
[M]- 358.07929 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.