CID 364080

Nsc629719

Structural Information

Molecular Formula
C13H12F4N2O2
SMILES
CCC1(CCC(=O)NC1=O)C2=C(C(=C(C(=C2F)F)N)F)F
InChI
InChI=1S/C13H12F4N2O2/c1-2-13(4-3-5(20)19-12(13)21)6-7(14)9(16)11(18)10(17)8(6)15/h2-4,18H2,1H3,(H,19,20,21)
InChIKey
VQMSWWCIWKGHRH-UHFFFAOYSA-N
Compound name
3-(4-amino-2,3,5,6-tetrafluorophenyl)-3-ethylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0835 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09078 163.8
[M+Na]+ 327.07272 174.7
[M-H]- 303.07622 163.2
[M+NH4]+ 322.11732 179.0
[M+K]+ 343.04666 168.8
[M+H-H2O]+ 287.08076 154.0
[M+HCOO]- 349.08170 178.1
[M+CH3COO]- 363.09735 206.2
[M+Na-2H]- 325.05817 162.2
[M]+ 304.08295 155.3
[M]- 304.08405 155.3
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.