CID 132342178

2137854-82-9

Structural Information

Molecular Formula
C8H13ClO3S
SMILES
C1CC2(C1)CCC(O2)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO3S/c9-13(10,11)6-7-2-5-8(12-7)3-1-4-8/h7H,1-6H2
InChIKey
YPIROZHLPTYHTN-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.4]octan-6-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03467 133.6
[M+Na]+ 247.01661 140.0
[M-H]- 223.02011 139.7
[M+NH4]+ 242.06121 149.3
[M+K]+ 262.99055 141.0
[M+H-H2O]+ 207.02465 126.2
[M+HCOO]- 269.02559 143.8
[M+CH3COO]- 283.04124 183.0
[M+Na-2H]- 245.00206 138.6
[M]+ 224.02684 144.8
[M]- 224.02794 144.8
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.