CID 82282311

5-chlorothiophene-2-sulfonyl fluoride

Structural Information

Molecular Formula
C4H2ClFO2S2
SMILES
C1=C(SC(=C1)Cl)S(=O)(=O)F
InChI
InChI=1S/C4H2ClFO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
InChIKey
XZQCGAGVTAESGC-UHFFFAOYSA-N
Compound name
5-chlorothiophene-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.91687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.924146 133.4
[M+Na]+ 222.906088 145.4
[M-H]- 198.909594 137.0
[M+NH4]+ 217.950693 156.1
[M+K]+ 238.880028 140.7
[M+H-H2O]+ 182.914130 129.4
[M+HCOO]- 244.915071 142.9
[M+CH3COO]- 258.930721 175.7
[M+Na-2H]- 220.891536 134.9
[M]+ 199.91632142 137.2
[M]- 199.91741858 137.2
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.