CID 93355

Thiophene, 4-bromo-2,3-dichlorotetrahydro-, 1,1-dioxide

Structural Information

Molecular Formula
C4H5BrCl2O2S
SMILES
C1C(C(C(S1(=O)=O)Cl)Cl)Br
InChI
InChI=1S/C4H5BrCl2O2S/c5-2-1-10(8,9)4(7)3(2)6/h2-4H,1H2
InChIKey
MFBGNSDBUQANML-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dichlorothiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

265.85706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.86434 131.4
[M+Na]+ 288.84628 147.8
[M-H]- 264.84978 138.7
[M+NH4]+ 283.89088 157.7
[M+K]+ 304.82022 134.2
[M+H-H2O]+ 248.85432 136.2
[M+HCOO]- 310.85526 139.8
[M+CH3COO]- 324.87091 185.4
[M+Na-2H]- 286.83173 135.6
[M]+ 265.85651 153.2
[M]- 265.85761 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe