CID 137944401

2287279-12-1

Structural Information

Molecular Formula
C9H15FO3S
SMILES
C1CC(OC2(C1)CCC2)CS(=O)(=O)F
InChI
InChI=1S/C9H15FO3S/c10-14(11,12)7-8-3-1-4-9(13-8)5-2-6-9/h8H,1-7H2
InChIKey
LPHKQZQFHFRYLV-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.5]nonan-6-ylmethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.07259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07987 136.1
[M+Na]+ 245.06181 140.4
[M-H]- 221.06531 140.2
[M+NH4]+ 240.10641 149.0
[M+K]+ 261.03575 143.0
[M+H-H2O]+ 205.06985 125.5
[M+HCOO]- 267.07079 147.2
[M+CH3COO]- 281.08644 185.2
[M+Na-2H]- 243.04726 141.6
[M]+ 222.07204 142.7
[M]- 222.07314 142.7
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.