CID 131042879

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

Structural Information

Molecular Formula
C4H4FNO2S2
SMILES
CC1=CSC(=N1)S(=O)(=O)F
InChI
InChI=1S/C4H4FNO2S2/c1-3-2-9-4(6-3)10(5,7)8/h2H,1H3
InChIKey
RPEBSLCVNSRARR-UHFFFAOYSA-N
Compound name
4-methyl-1,3-thiazole-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.96675 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.97403 137.0
[M+Na]+ 203.95597 146.4
[M+NH4]+ 199.00057 144.5
[M+K]+ 219.92991 140.0
[M-H]- 179.95947 135.5
[M+Na-2H]- 201.94142 139.7
[M]+ 180.96620 138.6
[M]- 180.96730 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.