CID 132344127

2137548-54-8

Structural Information

Molecular Formula
C8H15ClO3S
SMILES
CO[C@@H]1CCCCC[C@@H]1S(=O)(=O)Cl
InChI
InChI=1S/C8H15ClO3S/c1-12-7-5-3-2-4-6-8(7)13(9,10)11/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKey
UFXVTGPBWLNBMX-SFYZADRCSA-N
Compound name
(1S,2R)-2-methoxycycloheptane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04305 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05033 142.0
[M+Na]+ 249.03227 146.9
[M-H]- 225.03577 146.0
[M+NH4]+ 244.07687 160.0
[M+K]+ 265.00621 149.0
[M+H-H2O]+ 209.04031 137.7
[M+HCOO]- 271.04125 151.9
[M+CH3COO]- 285.05690 184.7
[M+Na-2H]- 247.01772 143.9
[M]+ 226.04250 140.4
[M]- 226.04360 140.4
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.