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
2
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 160.7
[M+Na]+ 339.03387 168.1
[M-H]- 315.03737 156.6
[M+NH4]+ 334.07847 174.6
[M+K]+ 355.00781 164.6
[M+H-H2O]+ 299.04191 148.6
[M+HCOO]- 361.04285 175.3
[M+CH3COO]- 375.05850 209.7
[M+Na-2H]- 337.01932 165.9
[M]+ 316.04410 150.3
[M]- 316.04520 150.3
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.