CID 10262706

3-chloro-propane-1-sulfonic acid butyl ester

Structural Information

Molecular Formula
C7H15ClO3S
SMILES
CCCCOS(=O)(=O)CCCCl
InChI
InChI=1S/C7H15ClO3S/c1-2-3-6-11-12(9,10)7-4-5-8/h2-7H2,1H3
InChIKey
MJHBOVFGBJXYQE-UHFFFAOYSA-N
Compound name
butyl 3-chloropropane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

214.04305 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.050326 143.1
[M+Na]+ 237.032268 151.3
[M-H]- 213.035774 143.7
[M+NH4]+ 232.076873 163.3
[M+K]+ 253.006208 148.2
[M+H-H2O]+ 197.040310 139.4
[M+HCOO]- 259.041251 156.2
[M+CH3COO]- 273.056901 182.5
[M+Na-2H]- 235.017716 146.5
[M]+ 214.04250142 150.9
[M]- 214.04359858 150.9
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

patents stripe