CID 171329407

2-ethoxypyrimidine-5-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClN2O3S
SMILES
CCOC1=NC=C(C=N1)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O3S/c1-2-12-6-8-3-5(4-9-6)13(7,10)11/h3-4H,2H2,1H3
InChIKey
XDDQNXMVYJNPQF-UHFFFAOYSA-N
Compound name
2-ethoxypyrimidine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.98659 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99387 143.7
[M+Na]+ 244.97581 156.6
[M+NH4]+ 240.02041 150.7
[M+K]+ 260.94975 149.5
[M-H]- 220.97931 143.1
[M+Na-2H]- 242.96126 149.3
[M]+ 221.98604 146.0
[M]- 221.98714 146.0
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.