CID 9581374

1h,2h,2h-perfluorooctanal (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C14H7F13N4O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N/N=C/CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H7F13N4O4/c15-9(16,10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27)3-4-28-29-7-2-1-6(30(32)33)5-8(7)31(34)35/h1-2,4-5,29H,3H2/b28-4+
InChIKey
DFKGWBDJNHAXEO-KLCRIKRISA-N
Compound name
2,4-dinitro-N-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

542.026 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.03328 211.5
[M+Na]+ 565.01522 220.5
[M-H]- 541.01872 225.2
[M+NH4]+ 560.05982 222.9
[M+K]+ 580.98916 224.1
[M+H-H2O]+ 525.02326 189.2
[M+HCOO]- 587.02420 231.6
[M+CH3COO]- 601.03985 237.4
[M+Na-2H]- 563.00067 206.7
[M]+ 542.02545 198.3
[M]- 542.02655 198.3
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.