CID 62478

Bis(trichloromethyl)sulfone

Structural Information

Molecular Formula
C2Cl6O2S
SMILES
C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl
InChI
InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8
InChIKey
YBNLWIZAWPBUKQ-UHFFFAOYSA-N
Compound name
trichloro(trichloromethylsulfonyl)methane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

1784
Patents

297.77502 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.78230 160.2
[M+Na]+ 320.76424 166.9
[M-H]- 296.76774 156.1
[M+NH4]+ 315.80884 174.1
[M+K]+ 336.73818 163.8
[M+H-H2O]+ 280.77228 160.0
[M+HCOO]- 342.77322 145.8
[M+CH3COO]- 356.78887 196.8
[M+Na-2H]- 318.74969 159.7
[M]+ 297.77447 156.8
[M]- 297.77557 156.8
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