CID 9604299

4-bromobenzaldehyde, 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C13H9BrN4O4
SMILES
C1=CC(=CC=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br
InChI
InChI=1S/C13H9BrN4O4/c14-10-3-1-9(2-4-10)8-15-16-12-6-5-11(17(19)20)7-13(12)18(21)22/h1-8,16H/b15-8+
InChIKey
SFVBWARTAYZWKI-OVCLIPMQSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.9807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.987976 173.8
[M+Na]+ 386.969918 180.7
[M-H]- 362.973424 183.3
[M+NH4]+ 382.014523 187.2
[M+K]+ 402.943858 161.7
[M+H-H2O]+ 346.977960 177.5
[M+HCOO]- 408.978901 199.4
[M+CH3COO]- 422.994551 205.5
[M+Na-2H]- 384.955366 183.2
[M]+ 363.98015142 189.4
[M]- 363.98124858 189.4
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

No patent data available for this compound.