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 146.9
[M+Na]+ 256.01695 157.2
[M-H]- 232.02045 150.2
[M+NH4]+ 251.06155 165.4
[M+K]+ 271.99089 153.2
[M+H-H2O]+ 216.02499 142.2
[M+HCOO]- 278.02593 158.1
[M+CH3COO]- 292.04158 185.2
[M+Na-2H]- 254.00240 152.2
[M]+ 233.02718 152.0
[M]- 233.02828 152.0
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.