CID 125454234

2-methyl-1,3-thiazole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C4H4FNO2S2
SMILES
CC1=NC=C(S1)S(=O)(=O)F
InChI
InChI=1S/C4H4FNO2S2/c1-3-6-2-4(9-3)10(5,7)8/h2H,1H3
InChIKey
PWBIWFMZMSGLML-UHFFFAOYSA-N
Compound name
2-methyl-1,3-thiazole-5-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]+ 181.974026 131.0
[M+Na]+ 203.955968 142.6
[M-H]- 179.959474 133.0
[M+NH4]+ 199.000573 152.4
[M+K]+ 219.929908 139.5
[M+H-H2O]+ 163.964010 125.4
[M+HCOO]- 225.964951 143.9
[M+CH3COO]- 239.980601 174.4
[M+Na-2H]- 201.941416 132.6
[M]+ 180.96620142 133.7
[M]- 180.96729858 133.7
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

patents stripe