CID 9602351

4-bromobenzaldehyde phenylhydrazone

Structural Information

Molecular Formula
C13H11BrN2
SMILES
C1=CC=C(C=C1)N/N=C/C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H11BrN2/c14-12-8-6-11(7-9-12)10-15-16-13-4-2-1-3-5-13/h1-10,16H/b15-10+
InChIKey
IAKOZUYHSAFZOA-XNTDXEJSSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

274.01056 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01784 151.8
[M+Na]+ 296.99978 161.6
[M-H]- 273.00328 161.8
[M+NH4]+ 292.04438 171.3
[M+K]+ 312.97372 149.4
[M+H-H2O]+ 257.00782 149.7
[M+HCOO]- 319.00876 177.3
[M+CH3COO]- 333.02441 200.3
[M+Na-2H]- 294.98523 161.5
[M]+ 274.01001 169.1
[M]- 274.01111 169.1
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