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]+ 207.98967 134.3
[M+Na]+ 229.97161 146.2
[M-H]- 205.97511 139.7
[M+NH4]+ 225.01621 149.7
[M+K]+ 245.94555 141.8
[M+H-H2O]+ 189.97965 127.7
[M+HCOO]- 251.98059 147.3
[M+CH3COO]- 265.99624 182.3
[M+Na-2H]- 227.95706 135.9
[M]+ 206.98184 138.6
[M]- 206.98294 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.