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]+ 234.035006 146.9
[M+Na]+ 256.016948 157.2
[M-H]- 232.020454 150.2
[M+NH4]+ 251.061553 165.4
[M+K]+ 271.990888 153.2
[M+H-H2O]+ 216.024990 142.2
[M+HCOO]- 278.025931 158.1
[M+CH3COO]- 292.041581 185.2
[M+Na-2H]- 254.002396 152.2
[M]+ 233.02718142 152.0
[M]- 233.02827858 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.