CID 165870903

4-chloro-7h-pyrrolo[2,3-d]pyrimidine-5-sulfonyl fluoride

Structural Information

Molecular Formula
C6H3ClFN3O2S
SMILES
C1=C(C2=C(N1)N=CN=C2Cl)S(=O)(=O)F
InChI
InChI=1S/C6H3ClFN3O2S/c7-5-4-3(14(8,12)13)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKey
REEZWKVPAFTNKW-UHFFFAOYSA-N
Compound name
4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.96185 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.969126 141.5
[M+Na]+ 257.951068 155.9
[M-H]- 233.954574 141.3
[M+NH4]+ 252.995673 159.5
[M+K]+ 273.925008 150.2
[M+H-H2O]+ 217.959110 135.5
[M+HCOO]- 279.960051 152.2
[M+CH3COO]- 293.975701 180.6
[M+Na-2H]- 255.936516 147.2
[M]+ 234.96130142 145.8
[M]- 234.96239858 145.8
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.