CID 961544

4-bromo-n-(4-fluorobenzylidene)-aniline

Structural Information

Molecular Formula
C13H9BrFN
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)Br)F
InChI
InChI=1S/C13H9BrFN/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-9H
InChIKey
KGJDVCSCEDMUTG-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-1-(4-fluorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.99023 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.99751 152.4
[M+Na]+ 299.97945 164.1
[M-H]- 275.98295 161.8
[M+NH4]+ 295.02405 172.6
[M+K]+ 315.95339 151.8
[M+H-H2O]+ 259.98749 150.4
[M+HCOO]- 321.98843 176.1
[M+CH3COO]- 336.00408 199.3
[M+Na-2H]- 297.96490 160.4
[M]+ 276.98968 169.9
[M]- 276.99078 169.9
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.