CID 464705

180905-88-8

Structural Information

Molecular Formula
C14H13FN2O3S
SMILES
C1CC1NC(=O)C2=CC=CN2S(=O)(=O)C3=CC=CC=C3F
InChI
InChI=1S/C14H13FN2O3S/c15-11-4-1-2-6-13(11)21(19,20)17-9-3-5-12(17)14(18)16-10-7-8-10/h1-6,9-10H,7-8H2,(H,16,18)
InChIKey
PPAQVZQZRLFVBI-UHFFFAOYSA-N
Compound name
N-cyclopropyl-1-(2-fluorophenyl)sulfonylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.06308 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07036 161.9
[M+Na]+ 331.05230 171.8
[M-H]- 307.05580 170.2
[M+NH4]+ 326.09690 172.5
[M+K]+ 347.02624 166.3
[M+H-H2O]+ 291.06034 154.1
[M+HCOO]- 353.06128 179.9
[M+CH3COO]- 367.07693 203.4
[M+Na-2H]- 329.03775 163.8
[M]+ 308.06253 165.7
[M]- 308.06363 165.7
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.