CID 137951661

2174008-12-7

Structural Information

Molecular Formula
C8H15ClO4S
SMILES
CCOC(=O)C(C)(C)CCS(=O)(=O)Cl
InChI
InChI=1S/C8H15ClO4S/c1-4-13-7(10)8(2,3)5-6-14(9,11)12/h4-6H2,1-3H3
InChIKey
QUHRMJVKOZDJHL-UHFFFAOYSA-N
Compound name
ethyl 4-chlorosulfonyl-2,2-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04524 148.9
[M+Na]+ 265.02718 156.9
[M-H]- 241.03068 149.7
[M+NH4]+ 260.07178 167.9
[M+K]+ 281.00112 154.4
[M+H-H2O]+ 225.03522 145.6
[M+HCOO]- 287.03616 159.7
[M+CH3COO]- 301.05181 187.0
[M+Na-2H]- 263.01263 152.1
[M]+ 242.03741 156.7
[M]- 242.03851 156.7
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.