CID 5274049

Akos000185754

Structural Information

Molecular Formula
C14H12BrNO3
SMILES
COC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C14H12BrNO3/c1-19-11-6-7-12(13(17)8-11)14(18)16-10-4-2-9(15)3-5-10/h2-8,17H,1H3,(H,16,18)
InChIKey
VWQOAZPZHHXLIJ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-hydroxy-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.00006 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00734 162.9
[M+Na]+ 343.98928 173.1
[M-H]- 319.99278 171.0
[M+NH4]+ 339.03388 179.9
[M+K]+ 359.96322 161.5
[M+H-H2O]+ 303.99732 161.2
[M+HCOO]- 365.99826 183.8
[M+CH3COO]- 380.01391 202.6
[M+Na-2H]- 341.97473 168.2
[M]+ 320.99951 181.8
[M]- 321.00061 181.8
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

No patent data available for this compound.