CID 122163199

4-(5-oxopyrrolidin-2-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
C1CC(=O)NC1C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H10ClNO3S/c11-16(14,15)8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)
InChIKey
SPQPWQSSWSSRGT-UHFFFAOYSA-N
Compound name
4-(5-oxopyrrolidin-2-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.007 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.014276 154.5
[M+Na]+ 281.996218 164.1
[M-H]- 257.999724 159.2
[M+NH4]+ 277.040823 172.5
[M+K]+ 297.970158 158.6
[M+H-H2O]+ 242.004260 149.5
[M+HCOO]- 304.005201 165.3
[M+CH3COO]- 318.020851 184.6
[M+Na-2H]- 279.981666 155.6
[M]+ 259.00645142 155.5
[M]- 259.00754858 155.5
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.