CID 6896698

(perfluoropropyl)-2-(2-phenylhydrazinylidene)ethanal phenylhydrazone

Structural Information

Molecular Formula
C17H13F7N4
SMILES
C1=CC=C(C=C1)N/N=C/C(=N\NC2=CC=CC=C2)/C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H13F7N4/c18-15(19,16(20,21)17(22,23)24)14(28-27-13-9-5-2-6-10-13)11-25-26-12-7-3-1-4-8-12/h1-11,26-27H/b25-11+,28-14+
InChIKey
CZTGVODYAZOEDE-WSMRIQNJSA-N
Compound name
N-[(E)-[(2E)-3,3,4,4,5,5,5-heptafluoro-2-(phenylhydrazinylidene)pentylidene]amino]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

406.10284 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11012 184.3
[M+Na]+ 429.09206 189.3
[M-H]- 405.09556 183.8
[M+NH4]+ 424.13666 194.1
[M+K]+ 445.06600 184.1
[M+H-H2O]+ 389.10010 169.4
[M+HCOO]- 451.10104 201.5
[M+CH3COO]- 465.11669 233.3
[M+Na-2H]- 427.07751 190.4
[M]+ 406.10229 173.2
[M]- 406.10339 173.2
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.