CID 321189

N,n'-terephthalylidene-bis(4-fluoroaniline)

Structural Information

Molecular Formula
C20H14F2N2
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)F)C=NC3=CC=C(C=C3)F
InChI
InChI=1S/C20H14F2N2/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h1-14H
InChIKey
VBCDABROGMPOGB-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)iminomethyl]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

320.11252 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11980 173.9
[M+Na]+ 343.10174 182.1
[M-H]- 319.10524 183.6
[M+NH4]+ 338.14634 188.6
[M+K]+ 359.07568 175.5
[M+H-H2O]+ 303.10978 161.9
[M+HCOO]- 365.11072 200.7
[M+CH3COO]- 379.12637 216.6
[M+Na-2H]- 341.08719 179.3
[M]+ 320.11197 172.2
[M]- 320.11307 172.2
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