CID 16227984

2,4-dichloropyrimidine-5-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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

literature stripe

Patent stripe

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