CID 145915559

2402830-99-1

Structural Information

Molecular Formula
C9H15ClO2S
SMILES
CC1(CC2(C1)CC(C2)S(=O)(=O)Cl)C
InChI
InChI=1S/C9H15ClO2S/c1-8(2)5-9(6-8)3-7(4-9)13(10,11)12/h7H,3-6H2,1-2H3
InChIKey
LPWYXUNMOWOEBD-UHFFFAOYSA-N
Compound name
2,2-dimethylspiro[3.3]heptane-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04813 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05541 128.3
[M+Na]+ 245.03735 134.0
[M-H]- 221.04085 133.7
[M+NH4]+ 240.08195 138.5
[M+K]+ 261.01129 135.9
[M+H-H2O]+ 205.04539 117.9
[M+HCOO]- 267.04633 137.1
[M+CH3COO]- 281.06198 195.5
[M+Na-2H]- 243.02280 133.6
[M]+ 222.04758 147.3
[M]- 222.04868 147.3
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.