CID 515934

1-(5-chloro-2-nitro-phenyl)sulfonylpyrrole-2-carboxamide

Structural Information

Molecular Formula
C11H8ClN3O5S
SMILES
C1=CN(C(=C1)C(=O)N)S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H8ClN3O5S/c12-7-3-4-8(15(17)18)10(6-7)21(19,20)14-5-1-2-9(14)11(13)16/h1-6H,(H2,13,16)
InChIKey
FOROTAFAIZZAQA-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-nitrophenyl)sulfonylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.9873 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.99458 168.4
[M+Na]+ 351.97652 176.4
[M-H]- 327.98002 174.5
[M+NH4]+ 347.02112 182.3
[M+K]+ 367.95046 167.8
[M+H-H2O]+ 311.98456 166.8
[M+HCOO]- 373.98550 183.2
[M+CH3COO]- 388.00115 196.5
[M+Na-2H]- 349.96197 172.3
[M]+ 328.98675 170.2
[M]- 328.98785 170.2
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.