CID 165562963

4-amino-5-chlorothiophene-2-sulfonyl fluoride

Structural Information

Molecular Formula
C4H3ClFNO2S2
SMILES
C1=C(SC(=C1N)Cl)S(=O)(=O)F
InChI
InChI=1S/C4H3ClFNO2S2/c5-4-2(7)1-3(10-4)11(6,8)9/h1H,7H2
InChIKey
JUXISAODPKBMAV-UHFFFAOYSA-N
Compound name
4-amino-5-chlorothiophene-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.92778 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.93506 137.1
[M+Na]+ 237.91700 148.8
[M-H]- 213.92050 140.1
[M+NH4]+ 232.96160 158.7
[M+K]+ 253.89094 143.3
[M+H-H2O]+ 197.92504 132.9
[M+HCOO]- 259.92598 146.7
[M+CH3COO]- 273.94163 180.8
[M+Na-2H]- 235.90245 137.7
[M]+ 214.92723 139.4
[M]- 214.92833 139.4
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.