CID 9581373

2-ethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanal (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C16H11F13N4O4
SMILES
CCC(/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H11F13N4O4/c1-2-7(6-30-31-9-4-3-8(32(34)35)5-10(9)33(36)37)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-7,31H,2H2,1H3/b30-6+
InChIKey
YFSDHUFAFMHXNT-KSJARQFSSA-N
Compound name
N-[(E)-(2-ethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylidene)amino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

570.05725 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.06453 218.6
[M+Na]+ 593.04647 227.4
[M-H]- 569.04997 232.9
[M+NH4]+ 588.09107 231.1
[M+K]+ 609.02041 232.4
[M+H-H2O]+ 553.05451 196.5
[M+HCOO]- 615.05545 235.6
[M+CH3COO]- 629.07110 243.0
[M+Na-2H]- 591.03192 213.3
[M]+ 570.05670 205.2
[M]- 570.05780 205.2
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.