CID 138040042

5-acetamidothiophene-2-sulfonyl fluoride

Structural Information

Molecular Formula
C6H6FNO3S2
SMILES
CC(=O)NC1=CC=C(S1)S(=O)(=O)F
InChI
InChI=1S/C6H6FNO3S2/c1-4(9)8-5-2-3-6(12-5)13(7,10)11/h2-3H,1H3,(H,8,9)
InChIKey
ZCSWZPXCIQDWLL-UHFFFAOYSA-N
Compound name
5-acetamidothiophene-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.97731 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.98459 143.2
[M+Na]+ 245.96653 152.5
[M-H]- 221.97003 145.9
[M+NH4]+ 241.01113 163.4
[M+K]+ 261.94047 148.9
[M+H-H2O]+ 205.97457 137.2
[M+HCOO]- 267.97551 156.7
[M+CH3COO]- 281.99116 183.7
[M+Na-2H]- 243.95198 144.2
[M]+ 222.97676 145.2
[M]- 222.97786 145.2
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.