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]+ 263.025156 158.3
[M+Na]+ 285.007098 167.1
[M-H]- 261.010604 162.0
[M+NH4]+ 280.051703 176.5
[M+K]+ 300.981038 163.2
[M+H-H2O]+ 245.015140 152.9
[M+HCOO]- 307.016081 167.9
[M+CH3COO]- 321.031731 183.7
[M+Na-2H]- 282.992546 156.9
[M]+ 262.01733142 159.2
[M]- 262.01842858 159.2
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

No patent data available for this compound.