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]+ 199.05541 140.3
[M+Na]+ 221.03735 148.9
[M-H]- 197.04085 141.3
[M+NH4]+ 216.08195 161.3
[M+K]+ 237.01129 145.8
[M+H-H2O]+ 181.04539 137.3
[M+HCOO]- 243.04633 151.7
[M+CH3COO]- 257.06198 180.9
[M+Na-2H]- 219.02280 144.4
[M]+ 198.04758 146.1
[M]- 198.04868 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.