CID 138039655

Spiro[3.5]nonane-7-sulfonyl chloride

Structural Information

Molecular Formula
C9H15ClO2S
SMILES
C1CC2(C1)CCC(CC2)S(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO2S/c10-13(11,12)8-2-6-9(7-3-8)4-1-5-9/h8H,1-7H2
InChIKey
UDKSTTCXBVLBIF-UHFFFAOYSA-N
Compound name
spiro[3.5]nonane-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.04813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05541 135.7
[M+Na]+ 245.03735 141.0
[M-H]- 221.04085 140.5
[M+NH4]+ 240.08195 150.9
[M+K]+ 261.01129 140.5
[M+H-H2O]+ 205.04539 127.1
[M+HCOO]- 267.04633 144.1
[M+CH3COO]- 281.06198 184.3
[M+Na-2H]- 243.02280 140.4
[M]+ 222.04758 143.3
[M]- 222.04868 143.3
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

patents stripe