CID 135867733

4-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide

Structural Information

Molecular Formula
C14H9Br3N2O3
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=CC(=C(C(=C2O)Br)O)Br)Br
InChI
InChI=1S/C14H9Br3N2O3/c15-9-3-1-7(2-4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+
InChIKey
HKNUDJDAVYPTGD-NGYBGAFCSA-N
Compound name
4-bromo-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

489.81635 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.82363 165.0
[M+Na]+ 512.80557 170.5
[M-H]- 488.80907 170.7
[M+NH4]+ 507.85017 175.3
[M+K]+ 528.77951 154.4
[M+H-H2O]+ 472.81361 176.6
[M+HCOO]- 534.81455 174.4
[M+CH3COO]- 548.83020 234.1
[M+Na-2H]- 510.79102 167.2
[M]+ 489.81580 204.6
[M]- 489.81690 204.6
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