CID 290590

Spiro(3h-2,1-benzoxathiole-3,1'-cyclohexane), 1,1-dioxide

Structural Information

Molecular Formula
C12H14O3S
SMILES
C1CCC2(CC1)C3=CC=CC=C3S(=O)(=O)O2
InChI
InChI=1S/C12H14O3S/c13-16(14)11-7-3-2-6-10(11)12(15-16)8-4-1-5-9-12/h2-3,6-7H,1,4-5,8-9H2
InChIKey
FWLHSILHPJXBEN-UHFFFAOYSA-N
Compound name
spiro[2,1lambda6-benzoxathiole-3,1'-cyclohexane] 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.06636 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07364 148.1
[M+Na]+ 261.05558 157.4
[M-H]- 237.05908 155.5
[M+NH4]+ 256.10018 172.1
[M+K]+ 277.02952 155.3
[M+H-H2O]+ 221.06362 143.6
[M+HCOO]- 283.06456 163.3
[M+CH3COO]- 297.08021 161.5
[M+Na-2H]- 259.04103 154.5
[M]+ 238.06581 148.5
[M]- 238.06691 148.5
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.