CID 12544217

2-(3-bromophenyl)isothiazolidine 1,1-dioxide

Structural Information

Molecular Formula
C9H10BrNO2S
SMILES
C1CN(S(=O)(=O)C1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H10BrNO2S/c10-8-3-1-4-9(7-8)11-5-2-6-14(11,12)13/h1,3-4,7H,2,5-6H2
InChIKey
PDZFOXCQQCMSHZ-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

274.96155 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96883 140.9
[M+Na]+ 297.95077 154.7
[M-H]- 273.95427 149.9
[M+NH4]+ 292.99537 164.1
[M+K]+ 313.92471 143.5
[M+H-H2O]+ 257.95881 142.2
[M+HCOO]- 319.95975 157.7
[M+CH3COO]- 333.97540 188.4
[M+Na-2H]- 295.93622 146.1
[M]+ 274.96100 160.8
[M]- 274.96210 160.8
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

patents stripe