CID 75480773

3-(chlorosulfonyl)propane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C3H6ClFO4S2
SMILES
C(CS(=O)(=O)F)CS(=O)(=O)Cl
InChI
InChI=1S/C3H6ClFO4S2/c4-10(6,7)2-1-3-11(5,8)9/h1-3H2
InChIKey
QYMPXFWYIPVYNF-UHFFFAOYSA-N
Compound name
3-chlorosulfonylpropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

223.938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.94528 137.4
[M+Na]+ 246.92722 147.0
[M-H]- 222.93072 137.1
[M+NH4]+ 241.97182 156.7
[M+K]+ 262.90116 142.6
[M+H-H2O]+ 206.93526 133.3
[M+HCOO]- 268.93620 144.0
[M+CH3COO]- 282.95185 178.8
[M+Na-2H]- 244.91267 140.9
[M]+ 223.93745 142.3
[M]- 223.93855 142.3
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