CID 135459439

Nsc158361

Structural Information

Molecular Formula
C14H8Br4N2O2
SMILES
C1=C(C=C(C(=C1/C=N/N=C/C2=C(C(=CC(=C2)Br)Br)O)O)Br)Br
InChI
InChI=1S/C14H8Br4N2O2/c15-9-1-7(13(21)11(17)3-9)5-19-20-6-8-2-10(16)4-12(18)14(8)22/h1-6,21-22H/b19-5+,20-6+
InChIKey
KGBGZCIYGGUQKO-OGBZJDJUSA-N
Compound name
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.73193 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.73921 166.3
[M+Na]+ 574.72115 171.0
[M-H]- 550.72465 170.8
[M+NH4]+ 569.76575 174.2
[M+K]+ 590.69509 157.4
[M+H-H2O]+ 534.72919 181.9
[M+HCOO]- 596.73013 172.0
[M+CH3COO]- 610.74578 243.9
[M+Na-2H]- 572.70660 167.0
[M]+ 551.73138 204.3
[M]- 551.73248 204.3
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.