CID 135579320

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

Structural Information

Molecular Formula
C14H9Br2ClN2O3
SMILES
C1=CC(=CC=C1C(=O)N/N=C/C2=CC(=C(C(=C2O)Br)O)Br)Cl
InChI
InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+
InChIKey
ZDMUFSJTENTNDA-NGYBGAFCSA-N
Compound name
4-chloro-N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

445.86685 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.87413 170.8
[M+Na]+ 468.85607 181.0
[M-H]- 444.85957 178.7
[M+NH4]+ 463.90067 184.7
[M+K]+ 484.83001 162.8
[M+H-H2O]+ 428.86411 176.5
[M+HCOO]- 490.86505 183.1
[M+CH3COO]- 504.88070 224.1
[M+Na-2H]- 466.84152 174.3
[M]+ 445.86630 205.5
[M]- 445.86740 205.5
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