CID 13457642

90715-84-7

Structural Information

Molecular Formula
C7H5F7N2O2
SMILES
C1C(C(=O)NC(=O)N1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F7N2O2/c8-5(9,6(10,11)7(12,13)14)2-1-15-4(18)16-3(2)17/h2H,1H2,(H2,15,16,17,18)
InChIKey
MDXORTHIGOLQOD-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

282.02393 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03121 153.8
[M+Na]+ 305.01315 162.0
[M-H]- 281.01665 143.2
[M+NH4]+ 300.05775 165.2
[M+K]+ 320.98709 157.5
[M+H-H2O]+ 265.02119 142.8
[M+HCOO]- 327.02213 157.5
[M+CH3COO]- 341.03778 192.0
[M+Na-2H]- 302.99860 156.2
[M]+ 282.02338 137.6
[M]- 282.02448 137.6
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