CID 165874223

En300-1294360

Structural Information

Molecular Formula
C12H17F2NO3
SMILES
CC(C)(C)OC(=O)NC1CC(=O)C12CC(C2)(F)F
InChI
InChI=1S/C12H17F2NO3/c1-10(2,3)18-9(17)15-7-4-8(16)11(7)5-12(13,14)6-11/h7H,4-6H2,1-3H3,(H,15,17)
InChIKey
UEZQKHSLHMLABB-UHFFFAOYSA-N
Compound name
tert-butyl N-(6,6-difluoro-3-oxospiro[3.3]heptan-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11765 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12493 157.9
[M+Na]+ 284.10687 162.3
[M-H]- 260.11037 161.2
[M+NH4]+ 279.15147 165.3
[M+K]+ 300.08081 166.5
[M+H-H2O]+ 244.11491 144.7
[M+HCOO]- 306.11585 172.3
[M+CH3COO]- 320.13150 207.5
[M+Na-2H]- 282.09232 160.7
[M]+ 261.11710 172.3
[M]- 261.11820 172.3
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.