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]+ 364.98798 173.8
[M+Na]+ 386.96992 180.7
[M-H]- 362.97342 183.3
[M+NH4]+ 382.01452 187.2
[M+K]+ 402.94386 161.7
[M+H-H2O]+ 346.97796 177.5
[M+HCOO]- 408.97890 199.4
[M+CH3COO]- 422.99455 205.5
[M+Na-2H]- 384.95537 183.2
[M]+ 363.98015 189.4
[M]- 363.98125 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.