CID 24698022

1016860-62-0

Structural Information

Molecular Formula
C10H12BrNO2S
SMILES
CC1=C(C=CC(=C1)N2CCCS2(=O)=O)Br
InChI
InChI=1S/C10H12BrNO2S/c1-8-7-9(3-4-10(8)11)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6H2,1H3
InChIKey
ZVJDZMGIZMQYIC-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.9772 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.98448 144.3
[M+Na]+ 311.96642 158.5
[M-H]- 287.96992 153.4
[M+NH4]+ 307.01102 167.3
[M+K]+ 327.94036 147.0
[M+H-H2O]+ 271.97446 145.7
[M+HCOO]- 333.97540 160.7
[M+CH3COO]- 347.99105 192.3
[M+Na-2H]- 309.95187 148.5
[M]+ 288.97665 164.9
[M]- 288.97775 164.9
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.