CID 132302826

2195750-83-3

Structural Information

Molecular Formula
C12H19FN2O4S
SMILES
C1CCCC2(CCC1)C(=O)N(C(=O)N2)CCS(=O)(=O)F
InChI
InChI=1S/C12H19FN2O4S/c13-20(18,19)9-8-15-10(16)12(14-11(15)17)6-4-2-1-3-5-7-12/h1-9H2,(H,14,17)
InChIKey
OVJKBIIAKMFKNQ-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10495 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11223 169.5
[M+Na]+ 329.09417 174.1
[M-H]- 305.09767 169.7
[M+NH4]+ 324.13877 176.7
[M+K]+ 345.06811 173.4
[M+H-H2O]+ 289.10221 165.5
[M+HCOO]- 351.10315 173.0
[M+CH3COO]- 365.11880 227.0
[M+Na-2H]- 327.07962 166.7
[M]+ 306.10440 167.5
[M]- 306.10550 167.5
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.