CID 42943776

5-(pyrrolidine-1-carbonyl)-1h-pyrrole-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClN2O3S
SMILES
C1CCN(C1)C(=O)C2=CC(=CN2)S(=O)(=O)Cl
InChI
InChI=1S/C9H11ClN2O3S/c10-16(14,15)7-5-8(11-6-7)9(13)12-3-1-2-4-12/h5-6,11H,1-4H2
InChIKey
OWPFEQZTSUAQTP-UHFFFAOYSA-N
Compound name
5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.01788 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02516 156.1
[M+Na]+ 285.00710 164.7
[M+NH4]+ 280.05170 162.4
[M+K]+ 300.98104 162.5
[M-H]- 261.01060 155.1
[M+Na-2H]- 282.99255 158.9
[M]+ 262.01733 157.3
[M]- 262.01843 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.