CID 6183238

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

Structural Information

Molecular Formula
C14H11F7N2O2
SMILES
C/C(=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F)/NNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H11F7N2O2/c1-8(22-23-11(25)9-5-3-2-4-6-9)7-10(24)12(15,16)13(17,18)14(19,20)21/h2-7,22H,1H3,(H,23,25)/b8-7-
InChIKey
CBPLYQHOYNDADX-FPLPWBNLSA-N
Compound name
N'-[(Z)-5,5,6,6,7,7,7-heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.07086 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07814 174.4
[M+Na]+ 395.06008 179.8
[M-H]- 371.06358 168.6
[M+NH4]+ 390.10468 185.1
[M+K]+ 411.03402 176.0
[M+H-H2O]+ 355.06812 162.4
[M+HCOO]- 417.06906 185.1
[M+CH3COO]- 431.08471 218.8
[M+Na-2H]- 393.04553 175.8
[M]+ 372.07031 162.7
[M]- 372.07141 162.7
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.