CID 55279824

6-tert-butylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CC(C)(C)C1=NC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H12ClNO2S/c1-9(2,3)8-5-4-7(6-11-8)14(10,12)13/h4-6H,1-3H3
InChIKey
GXCPPSQXZZYTJP-UHFFFAOYSA-N
Compound name
6-tert-butylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.02773 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03501 151.9
[M+Na]+ 256.01695 164.6
[M+NH4]+ 251.06155 159.6
[M+K]+ 271.99089 157.1
[M-H]- 232.02045 151.9
[M+Na-2H]- 254.00240 157.5
[M]+ 233.02718 154.6
[M]- 233.02828 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.