CID 5753962

N'-[(2e)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]-3-methoxybenzohydrazide

Structural Information

Molecular Formula
C15H13F7N2O3
SMILES
C/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/NNC(=O)C1=CC(=CC=C1)OC
InChI
InChI=1S/C15H13F7N2O3/c1-8(6-11(25)13(16,17)14(18,19)15(20,21)22)23-24-12(26)9-4-3-5-10(7-9)27-2/h3-7,23H,1-2H3,(H,24,26)/b8-6+
InChIKey
KNTVPOWEBPJFKR-SOFGYWHQSA-N
Compound name
N'-[(E)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]-3-methoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

402.08145 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08873 181.7
[M+Na]+ 425.07067 187.4
[M-H]- 401.07417 176.0
[M+NH4]+ 420.11527 191.4
[M+K]+ 441.04461 184.1
[M+H-H2O]+ 385.07871 169.5
[M+HCOO]- 447.07965 192.2
[M+CH3COO]- 461.09530 225.0
[M+Na-2H]- 423.05612 182.2
[M]+ 402.08090 172.1
[M]- 402.08200 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.