CID 125511476

3,3-dimethylpentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H15ClO2S
SMILES
CCC(C)(C)CCS(=O)(=O)Cl
InChI
InChI=1S/C7H15ClO2S/c1-4-7(2,3)5-6-11(8,9)10/h4-6H2,1-3H3
InChIKey
IVLOMAGATQDKQC-UHFFFAOYSA-N
Compound name
3,3-dimethylpentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04813 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.055406 140.3
[M+Na]+ 221.037348 148.9
[M-H]- 197.040854 141.3
[M+NH4]+ 216.081953 161.3
[M+K]+ 237.011288 145.8
[M+H-H2O]+ 181.045390 137.3
[M+HCOO]- 243.046331 151.7
[M+CH3COO]- 257.061981 180.9
[M+Na-2H]- 219.022796 144.4
[M]+ 198.04758142 146.1
[M]- 198.04867858 146.1
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.