CID 61483450

1250515-89-9

Structural Information

Molecular Formula
C7H15ClO3S
SMILES
CC(C)CCOCCS(=O)(=O)Cl
InChI
InChI=1S/C7H15ClO3S/c1-7(2)3-4-11-5-6-12(8,9)10/h7H,3-6H2,1-2H3
InChIKey
XFGNHHAJIWAOAD-UHFFFAOYSA-N
Compound name
2-(3-methylbutoxy)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.04305 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.050326 142.7
[M+Na]+ 237.032268 150.6
[M-H]- 213.035774 143.4
[M+NH4]+ 232.076873 162.9
[M+K]+ 253.006208 148.0
[M+H-H2O]+ 197.040310 139.1
[M+HCOO]- 259.041251 154.8
[M+CH3COO]- 273.056901 183.2
[M+Na-2H]- 235.017716 145.1
[M]+ 214.04250142 149.9
[M]- 214.04359858 149.9
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.