CID 3085879

72918-28-6

Structural Information

Molecular Formula
C10H4Br4N2O2
SMILES
C12=C(C(=C(C(=C1N)Br)Br)O)C(=N)C(=C(C2=O)Br)Br
InChI
InChI=1S/C10H4Br4N2O2/c11-3-6(14)10(18)2-1(7(3)15)9(17)5(13)4(12)8(2)16/h15,17H,16H2
InChIKey
OCJTZMFKNFAESY-UHFFFAOYSA-N
Compound name
8-amino-2,3,6,7-tetrabromo-5-hydroxy-4-iminonaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.70062 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.70790 157.6
[M+Na]+ 522.68984 162.9
[M-H]- 498.69334 160.9
[M+NH4]+ 517.73444 166.3
[M+K]+ 538.66378 148.9
[M+H-H2O]+ 482.69788 173.2
[M+HCOO]- 544.69882 162.0
[M+CH3COO]- 558.71447 241.2
[M+Na-2H]- 520.67529 158.3
[M]+ 499.70007 194.1
[M]- 499.70117 194.1
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.