CID 117012

Einecs 275-198-7

Structural Information

Molecular Formula
C12H9F6N3O3
SMILES
C(C=C(F)F)N1C(=O)N(C(=O)N(C1=O)CC=C(F)F)CC=C(F)F
InChI
InChI=1S/C12H9F6N3O3/c13-7(14)1-4-19-10(22)20(5-2-8(15)16)12(24)21(11(19)23)6-3-9(17)18/h1-3H,4-6H2
InChIKey
NVNLYDHRKLFDMW-UHFFFAOYSA-N
Compound name
1,3,5-tris(3,3-difluoroprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

357.0548 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.06208 166.9
[M+Na]+ 380.04402 178.9
[M-H]- 356.04752 159.7
[M+NH4]+ 375.08862 176.1
[M+K]+ 396.01796 172.3
[M+H-H2O]+ 340.05206 153.9
[M+HCOO]- 402.05300 178.8
[M+CH3COO]- 416.06865 213.1
[M+Na-2H]- 378.02947 163.3
[M]+ 357.05425 162.3
[M]- 357.05535 162.3
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

patents stripe