CID 137838489

{spiro[3.3]heptan-2-yl}methanesulfonyl chloride

Structural Information

Molecular Formula
C8H13ClO2S
SMILES
C1CC2(C1)CC(C2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO2S/c9-12(10,11)6-7-4-8(5-7)2-1-3-8/h7H,1-6H2
InChIKey
ZYSWFYQYACUEPF-UHFFFAOYSA-N
Compound name
spiro[3.3]heptan-2-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03249 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03977 122.0
[M+Na]+ 231.02171 126.8
[M-H]- 207.02521 126.9
[M+NH4]+ 226.06631 130.8
[M+K]+ 246.99565 129.0
[M+H-H2O]+ 191.02975 109.8
[M+HCOO]- 253.03069 131.3
[M+CH3COO]- 267.04634 192.2
[M+Na-2H]- 229.00716 127.2
[M]+ 208.03194 140.1
[M]- 208.03304 140.1
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.