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]+ 260.01428 154.5
[M+Na]+ 281.99622 164.1
[M-H]- 257.99972 159.2
[M+NH4]+ 277.04082 172.5
[M+K]+ 297.97016 158.6
[M+H-H2O]+ 242.00426 149.5
[M+HCOO]- 304.00520 165.3
[M+CH3COO]- 318.02085 184.6
[M+Na-2H]- 279.98167 155.6
[M]+ 259.00645 155.5
[M]- 259.00755 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.