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]+ 222.993866 140.0
[M+Na]+ 244.975808 151.0
[M-H]- 220.979314 141.9
[M+NH4]+ 240.020413 157.3
[M+K]+ 260.949748 147.6
[M+H-H2O]+ 204.983850 134.3
[M+HCOO]- 266.984791 152.6
[M+CH3COO]- 281.000441 181.3
[M+Na-2H]- 242.961256 146.0
[M]+ 221.98604142 146.3
[M]- 221.98713858 146.3
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.