CID 165947737

2,4-dichloro-5h-pyrrolo[3,2-d]pyrimidine-7-sulfonyl chloride

Structural Information

Molecular Formula
C6H2Cl3N3O2S
SMILES
C1=C(C2=C(N1)C(=NC(=N2)Cl)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H2Cl3N3O2S/c7-5-4-3(11-6(8)12-5)2(1-10-4)15(9,13)14/h1,10H
InChIKey
UPNHGXANOYIMJI-UHFFFAOYSA-N
Compound name
2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.89334 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.90062 151.7
[M+Na]+ 307.88256 166.1
[M-H]- 283.88606 151.5
[M+NH4]+ 302.92716 168.1
[M+K]+ 323.85650 159.8
[M+H-H2O]+ 267.89060 147.4
[M+HCOO]- 329.89154 152.6
[M+CH3COO]- 343.90719 163.5
[M+Na-2H]- 305.86801 155.2
[M]+ 284.89279 157.4
[M]- 284.89389 157.4
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.

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No patent data available for this compound.