CID 955609

4-bromo-n-(2,4-dichlorobenzylidene)aniline

Structural Information

Molecular Formula
C13H8BrCl2N
SMILES
C1=CC(=CC=C1N=CC2=C(C=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C13H8BrCl2N/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-8H
InChIKey
VMLIQUBRQZTNBD-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-1-(2,4-dichlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

326.92172 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.92900 159.6
[M+Na]+ 349.91094 173.8
[M-H]- 325.91444 169.5
[M+NH4]+ 344.95554 179.5
[M+K]+ 365.88488 158.7
[M+H-H2O]+ 309.91898 159.7
[M+HCOO]- 371.91992 174.9
[M+CH3COO]- 385.93557 174.5
[M+Na-2H]- 347.89639 166.5
[M]+ 326.92117 181.4
[M]- 326.92227 181.4
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

patents stripe