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 158.0
[M+Na]+ 292.01696 170.3
[M-H]- 268.02046 165.7
[M+NH4]+ 287.06156 181.7
[M+K]+ 307.99090 165.0
[M+H-H2O]+ 252.02500 153.7
[M+HCOO]- 314.02594 171.7
[M+CH3COO]- 328.04159 171.8
[M+Na-2H]- 290.00241 158.7
[M]+ 269.02719 162.2
[M]- 269.02829 162.3
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.