CID 55280795

7-hydroxyheptane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H15ClO3S
SMILES
C(CCCO)CCCS(=O)(=O)Cl
InChI
InChI=1S/C7H15ClO3S/c8-12(10,11)7-5-3-1-2-4-6-9/h9H,1-7H2
InChIKey
PKPLORYIQYWITL-UHFFFAOYSA-N
Compound name
7-hydroxyheptane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.04305 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05033 143.5
[M+Na]+ 237.03227 151.1
[M-H]- 213.03577 142.5
[M+NH4]+ 232.07687 162.9
[M+K]+ 253.00621 147.1
[M+H-H2O]+ 197.04031 140.0
[M+HCOO]- 259.04125 155.1
[M+CH3COO]- 273.05690 179.8
[M+Na-2H]- 235.01772 146.4
[M]+ 214.04250 149.3
[M]- 214.04360 149.3
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.