CID 138396362

Dtxsid50896051

Structural Information

Molecular Formula
C11H7F7N2O
SMILES
C1=CC=C(C=C1)C=NNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F7N2O/c12-9(13,10(14,15)11(16,17)18)8(21)20-19-6-7-4-2-1-3-5-7/h1-6H,(H,20,21)
InChIKey
NIXAZLSKEGYCPS-UHFFFAOYSA-N
Compound name
N-(benzylideneamino)-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.04465 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05193 175.7
[M+Na]+ 339.03387 178.0
[M+NH4]+ 334.07847 176.2
[M+K]+ 355.00781 174.9
[M-H]- 315.03737 168.6
[M+Na-2H]- 337.01932 175.5
[M]+ 316.04410 173.5
[M]- 316.04520 173.5
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.