CID 75684

Trichloromethanesulfonyl chloride

Structural Information

Molecular Formula
CCl4O2S
SMILES
C(S(=O)(=O)Cl)(Cl)(Cl)Cl
InChI
InChI=1S/CCl4O2S/c2-1(3,4)8(5,6)7
InChIKey
ZCPSWAFANXCCOT-UHFFFAOYSA-N
Compound name
trichloromethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1276
Patents

215.83731 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.84459 134.1
[M+Na]+ 238.82653 144.0
[M-H]- 214.83003 133.4
[M+NH4]+ 233.87113 153.6
[M+K]+ 254.80047 139.8
[M+H-H2O]+ 198.83457 134.1
[M+HCOO]- 260.83551 131.6
[M+CH3COO]- 274.85116 180.0
[M+Na-2H]- 236.81198 137.7
[M]+ 215.83676 136.3
[M]- 215.83786 136.3
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