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]+ 235.96913 141.5
[M+Na]+ 257.95107 155.9
[M-H]- 233.95457 141.3
[M+NH4]+ 252.99567 159.5
[M+K]+ 273.92501 150.2
[M+H-H2O]+ 217.95911 135.5
[M+HCOO]- 279.96005 152.2
[M+CH3COO]- 293.97570 180.6
[M+Na-2H]- 255.93652 147.2
[M]+ 234.96130 145.8
[M]- 234.96240 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.