CID 165978692

5-bromo-2,6-dimethoxypyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H7BrClNO4S
SMILES
COC1=C(C=C(C(=N1)OC)S(=O)(=O)Cl)Br
InChI
InChI=1S/C7H7BrClNO4S/c1-13-6-4(8)3-5(15(9,11)12)7(10-6)14-2/h3H,1-2H3
InChIKey
INRDSSGANYHCPC-UHFFFAOYSA-N
Compound name
5-bromo-2,6-dimethoxypyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.89676 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.90404 141.4
[M+Na]+ 337.88598 156.8
[M-H]- 313.88948 148.0
[M+NH4]+ 332.93058 160.7
[M+K]+ 353.85992 144.6
[M+H-H2O]+ 297.89402 142.7
[M+HCOO]- 359.89496 153.4
[M+CH3COO]- 373.91061 195.5
[M+Na-2H]- 335.87143 148.3
[M]+ 314.89621 168.1
[M]- 314.89731 168.1
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.