CID 14404718

4,6-dimethylpyrimidine-2-sulfonyl fluoride

Structural Information

Molecular Formula
C6H7FN2O2S
SMILES
CC1=CC(=NC(=N1)S(=O)(=O)F)C
InChI
InChI=1S/C6H7FN2O2S/c1-4-3-5(2)9-6(8-4)12(7,10)11/h3H,1-2H3
InChIKey
BPDMJOYLYBUPSI-UHFFFAOYSA-N
Compound name
4,6-dimethylpyrimidine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

190.02122 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02850 133.8
[M+Na]+ 213.01044 145.4
[M-H]- 189.01394 134.7
[M+NH4]+ 208.05504 151.8
[M+K]+ 228.98438 142.6
[M+H-H2O]+ 173.01848 126.8
[M+HCOO]- 235.01942 149.7
[M+CH3COO]- 249.03507 179.2
[M+Na-2H]- 210.99589 138.7
[M]+ 190.02067 136.3
[M]- 190.02177 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe