CID 88004578

2,2-dimethylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H13ClO2S
SMILES
CCC(C)(C)CS(=O)(=O)Cl
InChI
InChI=1S/C6H13ClO2S/c1-4-6(2,3)5-10(7,8)9/h4-5H2,1-3H3
InChIKey
NGKGZIQMXJYFLI-UHFFFAOYSA-N
Compound name
2,2-dimethylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.03249 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03977 135.7
[M+Na]+ 207.02171 144.8
[M-H]- 183.02521 136.9
[M+NH4]+ 202.06631 157.3
[M+K]+ 222.99565 142.0
[M+H-H2O]+ 167.02975 132.9
[M+HCOO]- 229.03069 147.4
[M+CH3COO]- 243.04634 177.9
[M+Na-2H]- 205.00716 140.4
[M]+ 184.03194 141.2
[M]- 184.03304 141.2
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

patents stripe