CID 5348269

Ccg-14089

Structural Information

Molecular Formula
C14H8Br3N3O4
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=C(C=C2Br)Br)O)Br)[N+](=O)[O-]
InChI
InChI=1S/C14H8Br3N3O4/c15-9-5-10(16)13(21)12(17)8(9)6-18-19-14(22)7-3-1-2-4-11(7)20(23)24/h1-6,21H,(H,19,22)/b18-6+
InChIKey
OYDFJVNCPKVFTG-NGYBGAFCSA-N
Compound name
2-nitro-N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.8065 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.81378 179.7
[M+Na]+ 541.79572 184.3
[M-H]- 517.79922 185.9
[M+NH4]+ 536.84032 189.0
[M+K]+ 557.76966 166.0
[M+H-H2O]+ 501.80376 192.1
[M+HCOO]- 563.80470 189.9
[M+CH3COO]- 577.82035 234.6
[M+Na-2H]- 539.78117 181.7
[M]+ 518.80595 219.8
[M]- 518.80705 219.8
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.