CID 112694375

2,5-dibromopyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H2Br2ClNO2S
SMILES
C1=C(C=NC(=C1S(=O)(=O)Cl)Br)Br
InChI
InChI=1S/C5H2Br2ClNO2S/c6-3-1-4(12(8,10)11)5(7)9-2-3/h1-2H
InChIKey
CEBXZZKJPOGUQC-UHFFFAOYSA-N
Compound name
2,5-dibromopyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.78616 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.79344 125.5
[M+Na]+ 355.77538 140.4
[M-H]- 331.77888 132.7
[M+NH4]+ 350.81998 144.6
[M+K]+ 371.74932 123.1
[M+H-H2O]+ 315.78342 135.3
[M+HCOO]- 377.78436 134.4
[M+CH3COO]- 391.80001 202.4
[M+Na-2H]- 353.76083 134.1
[M]+ 332.78561 163.2
[M]- 332.78671 163.2
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.