CID 3035262

2-propanone, hexafluoro-, 2-(2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C9H4F6N4O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H4F6N4O4/c10-8(11,12)7(9(13,14)15)17-16-5-2-1-4(18(20)21)3-6(5)19(22)23/h1-3,16H
InChIKey
PRQSQTUYRLNJPH-UHFFFAOYSA-N
Compound name
N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.01367 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.02095 155.6
[M+Na]+ 369.00289 161.9
[M-H]- 345.00639 196.2
[M+NH4]+ 364.04749 195.7
[M+K]+ 384.97683 151.7
[M+H-H2O]+ 329.01093 153.3
[M+HCOO]- 391.01187 207.0
[M+CH3COO]- 405.02752 203.6
[M+Na-2H]- 366.98834 165.0
[M]+ 346.01312 144.2
[M]- 346.01422 144.2
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

patents stripe