CID 154577645

2418670-81-0

Structural Information

Molecular Formula
C12H18FNO6S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CC2(C(=O)O)F
InChI
InChI=1S/C12H18FNO6S/c1-10(2,3)20-9(17)14-4-11(5-14)6-21(18,19)7-12(11,13)8(15)16/h4-7H2,1-3H3,(H,15,16)
InChIKey
DHAYZKVZRPCWFR-UHFFFAOYSA-N
Compound name
8-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-6,6-dioxo-6lambda6-thia-2-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0839 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.09118 166.3
[M+Na]+ 346.07312 171.5
[M-H]- 322.07662 167.6
[M+NH4]+ 341.11772 179.8
[M+K]+ 362.04706 173.4
[M+H-H2O]+ 306.08116 159.2
[M+HCOO]- 368.08210 174.8
[M+CH3COO]- 382.09775 199.8
[M+Na-2H]- 344.05857 168.3
[M]+ 323.08335 177.3
[M]- 323.08445 177.3
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.