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]+ 209.01008 138.1
[M+Na]+ 230.99202 149.8
[M-H]- 206.99552 141.7
[M+NH4]+ 226.03662 160.2
[M+K]+ 246.96596 146.0
[M+H-H2O]+ 191.00006 133.2
[M+HCOO]- 253.00100 151.0
[M+CH3COO]- 267.01665 183.0
[M+Na-2H]- 228.97747 137.6
[M]+ 208.00225 142.1
[M]- 208.00335 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.