CID 5753960

N'-[(2e)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C14H10F7N3O4
SMILES
C/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H10F7N3O4/c1-7(6-10(25)12(15,16)13(17,18)14(19,20)21)22-23-11(26)8-2-4-9(5-3-8)24(27)28/h2-6,22H,1H3,(H,23,26)/b7-6+
InChIKey
TZDXLQYBVHDLNK-VOTSOKGWSA-N
Compound name
N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]-4-nitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

417.05594 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.06322 175.4
[M+Na]+ 440.04516 180.3
[M-H]- 416.04866 170.0
[M+NH4]+ 435.08976 188.0
[M+K]+ 456.01910 173.3
[M+H-H2O]+ 400.05320 168.2
[M+HCOO]- 462.05414 193.6
[M+CH3COO]- 476.06979 219.8
[M+Na-2H]- 438.03061 179.9
[M]+ 417.05539 163.0
[M]- 417.05649 163.0
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.