CID 155822982

2503204-81-5

Structural Information

Molecular Formula
C9H15ClO3S
SMILES
C1COCCC12CC(C2)CS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO3S/c10-14(11,12)7-8-5-9(6-8)1-3-13-4-2-9/h8H,1-7H2
InChIKey
LIHOOFWMEFVVNO-UHFFFAOYSA-N
Compound name
7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04305 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05033 135.6
[M+Na]+ 261.03227 140.7
[M-H]- 237.03577 141.1
[M+NH4]+ 256.07687 148.9
[M+K]+ 277.00621 141.9
[M+H-H2O]+ 221.04031 127.0
[M+HCOO]- 283.04125 143.6
[M+CH3COO]- 297.05690 186.3
[M+Na-2H]- 259.01772 141.7
[M]+ 238.04250 145.1
[M]- 238.04360 145.1
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.