CID 83637643

2,4-dimethylpentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H15ClO2S
SMILES
CC(C)CC(C)CS(=O)(=O)Cl
InChI
InChI=1S/C7H15ClO2S/c1-6(2)4-7(3)5-11(8,9)10/h6-7H,4-5H2,1-3H3
InChIKey
BIZSAASKRJUBBN-UHFFFAOYSA-N
Compound name
2,4-dimethylpentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.04813 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.055406 138.9
[M+Na]+ 221.037348 146.6
[M-H]- 197.040854 139.7
[M+NH4]+ 216.081953 159.7
[M+K]+ 237.011288 144.0
[M+H-H2O]+ 181.045390 135.6
[M+HCOO]- 243.046331 149.7
[M+CH3COO]- 257.061981 182.1
[M+Na-2H]- 219.022796 140.1
[M]+ 198.04758142 144.1
[M]- 198.04867858 144.1
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.