CID 3626400

N'-[(4-ethylphenyl)methylidene]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanehydrazide

Structural Information

Molecular Formula
C16H11F13N2O
SMILES
CCC1=CC=C(C=C1)C=NNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H11F13N2O/c1-2-8-3-5-9(6-4-8)7-30-31-10(32)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-7H,2H2,1H3,(H,31,32)
InChIKey
GIDNPWTXZXYTBY-UHFFFAOYSA-N
Compound name
N-[(4-ethylphenyl)methylideneamino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

494.06638 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.07366 200.4
[M+Na]+ 517.05560 208.1
[M-H]- 493.05910 190.1
[M+NH4]+ 512.10020 207.0
[M+K]+ 533.02954 203.3
[M+H-H2O]+ 477.06364 184.4
[M+HCOO]- 539.06458 202.4
[M+CH3COO]- 553.08023 242.8
[M+Na-2H]- 515.04105 202.4
[M]+ 494.06583 181.6
[M]- 494.06693 181.6
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.