CID 9578396

Brn 1819294

Structural Information

Molecular Formula
C13H11BrN2
SMILES
C1=CC=C(C=C1)/C=N/NC2=CC=CC=C2Br
InChI
InChI=1S/C13H11BrN2/c14-12-8-4-5-9-13(12)16-15-10-11-6-2-1-3-7-11/h1-10,16H/b15-10+
InChIKey
DPYQHNKPUWZQLN-XNTDXEJSSA-N
Compound name
N-[(E)-benzylideneamino]-2-bromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.