CID 9571490

Nsc671893

Structural Information

Molecular Formula
C14H7F5N2O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C14H7F5N2O/c15-9-8(10(16)12(18)13(19)11(9)17)14(22)21-20-6-7-4-2-1-3-5-7/h1-6H,(H,21,22)/b20-6+
InChIKey
HADIVCVQIQBUPF-CGOBSMCZSA-N
Compound name
N-[(E)-benzylideneamino]-2,3,4,5,6-pentafluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.04785 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05513 164.2
[M+Na]+ 337.03707 174.9
[M-H]- 313.04057 166.7
[M+NH4]+ 332.08167 179.2
[M+K]+ 353.01101 169.3
[M+H-H2O]+ 297.04511 151.8
[M+HCOO]- 359.04605 186.1
[M+CH3COO]- 373.06170 214.0
[M+Na-2H]- 335.02252 165.3
[M]+ 314.04730 159.2
[M]- 314.04840 159.2
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.