CID 95196

4'-bromo-5-nitrosalicylanilide

Structural Information

Molecular Formula
C13H9BrN2O4
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)Br
InChI
InChI=1S/C13H9BrN2O4/c14-8-1-3-9(4-2-8)15-13(18)11-7-10(16(19)20)5-6-12(11)17/h1-7,17H,(H,15,18)
InChIKey
ABTIIXYUQVIQQP-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-hydroxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.97458 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.98186 165.0
[M+Na]+ 358.96380 173.8
[M-H]- 334.96730 172.9
[M+NH4]+ 354.00840 180.2
[M+K]+ 374.93774 158.2
[M+H-H2O]+ 318.97184 166.8
[M+HCOO]- 380.97278 186.8
[M+CH3COO]- 394.98843 198.8
[M+Na-2H]- 356.94925 171.8
[M]+ 335.97403 181.6
[M]- 335.97513 181.6
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