CID 137963853

4-cyclopropyl-1,3-thiazole-2-sulfonyl fluoride

Structural Information

Molecular Formula
C6H6FNO2S2
SMILES
C1CC1C2=CSC(=N2)S(=O)(=O)F
InChI
InChI=1S/C6H6FNO2S2/c7-12(9,10)6-8-5(3-11-6)4-1-2-4/h3-4H,1-2H2
InChIKey
AKIHQNVRAKDZON-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1,3-thiazole-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.98239 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.989666 134.3
[M+Na]+ 229.971608 146.2
[M-H]- 205.975114 139.7
[M+NH4]+ 225.016213 149.7
[M+K]+ 245.945548 141.8
[M+H-H2O]+ 189.979650 127.7
[M+HCOO]- 251.980591 147.3
[M+CH3COO]- 265.996241 182.3
[M+Na-2H]- 227.957056 135.9
[M]+ 206.98184142 138.6
[M]- 206.98293858 138.6
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.