CID 55206814

4,6-dichloropyrimidine-5-sulfonyl chloride

Structural Information

Molecular Formula
C4HCl3N2O2S
SMILES
C1=NC(=C(C(=N1)Cl)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C4HCl3N2O2S/c5-3-2(12(7,10)11)4(6)9-1-8-3/h1H
InChIKey
NEIUMSPCGPZYQT-UHFFFAOYSA-N
Compound name
4,6-dichloropyrimidine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.88243 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.88971 138.3
[M+Na]+ 268.87165 150.6
[M-H]- 244.87515 139.2
[M+NH4]+ 263.91625 155.1
[M+K]+ 284.84559 145.6
[M+H-H2O]+ 228.87969 134.4
[M+HCOO]- 290.88063 140.6
[M+CH3COO]- 304.89628 184.8
[M+Na-2H]- 266.85710 142.6
[M]+ 245.88188 143.0
[M]- 245.88298 143.0
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

patents stripe