CID 39870332

1110820-18-2

Structural Information

Molecular Formula
C9H12ClNO3S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CCl
InChI
InChI=1S/C9H12ClNO3S/c10-7-8-3-4-9(14-8)15(12,13)11-5-1-2-6-11/h3-4H,1-2,5-7H2
InChIKey
ITIWKPRYBBDOPP-UHFFFAOYSA-N
Compound name
1-[5-(chloromethyl)furan-2-yl]sulfonylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.02264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02992 154.3
[M+Na]+ 272.01186 163.8
[M-H]- 248.01536 161.1
[M+NH4]+ 267.05646 173.9
[M+K]+ 287.98580 161.6
[M+H-H2O]+ 232.01990 149.8
[M+HCOO]- 294.02084 166.7
[M+CH3COO]- 308.03649 184.2
[M+Na-2H]- 269.99731 155.1
[M]+ 249.02209 158.4
[M]- 249.02319 158.4
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.