CID 43974

62268-37-5

Structural Information

Molecular Formula
C12H12ClNO2S
SMILES
C1CCN(C1)C2=C(S(=O)(=O)C3=CC=CC=C32)Cl
InChI
InChI=1S/C12H12ClNO2S/c13-12-11(14-7-3-4-8-14)9-5-1-2-6-10(9)17(12,15)16/h1-2,5-6H,3-4,7-8H2
InChIKey
IMJDQIRGKZGWFD-UHFFFAOYSA-N
Compound name
2-chloro-3-pyrrolidin-1-yl-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.02774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03502 156.0
[M+Na]+ 292.01696 168.8
[M+NH4]+ 287.06156 166.9
[M+K]+ 307.99090 161.0
[M-H]- 268.02046 159.0
[M+Na-2H]- 290.00241 162.7
[M]+ 269.02719 159.5
[M]- 269.02829 159.5
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.