CID 3300350

N,n'-bis-(4-fluorobenzylidene)-ethylenediamine

Structural Information

Molecular Formula
C16H14F2N2
SMILES
C1=CC(=CC=C1C=NCCN=CC2=CC=C(C=C2)F)F
InChI
InChI=1S/C16H14F2N2/c17-15-5-1-13(2-6-15)11-19-9-10-20-12-14-3-7-16(18)8-4-14/h1-8,11-12H,9-10H2
InChIKey
BUVGSMGTCXQKPR-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methylideneamino]ethyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.11252 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11980 160.2
[M+Na]+ 295.10174 167.8
[M-H]- 271.10524 166.7
[M+NH4]+ 290.14634 177.2
[M+K]+ 311.07568 162.9
[M+H-H2O]+ 255.10978 149.6
[M+HCOO]- 317.11072 187.2
[M+CH3COO]- 331.12637 207.7
[M+Na-2H]- 293.08719 166.1
[M]+ 272.11197 159.3
[M]- 272.11307 159.3
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

patents stripe