CID 137698788

Trimethylthiophene-3-sulfonyl fluoride

Structural Information

Molecular Formula
C7H9FO2S2
SMILES
CC1=C(SC(=C1S(=O)(=O)F)C)C
InChI
InChI=1S/C7H9FO2S2/c1-4-5(2)11-6(3)7(4)12(8,9)10/h1-3H3
InChIKey
CTKUKAAABVSECY-UHFFFAOYSA-N
Compound name
2,4,5-trimethylthiophene-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.010076 138.1
[M+Na]+ 230.992018 149.8
[M-H]- 206.995524 141.7
[M+NH4]+ 226.036623 160.2
[M+K]+ 246.965958 146.0
[M+H-H2O]+ 191.000060 133.2
[M+HCOO]- 253.001001 151.0
[M+CH3COO]- 267.016651 183.0
[M+Na-2H]- 228.977466 137.6
[M]+ 208.00225142 142.1
[M]- 208.00334858 142.1
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.