CID 487712

5-bromo-2-hydroxy-n-(4-methylphenyl)benzamide

Structural Information

Molecular Formula
C14H12BrNO2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C14H12BrNO2/c1-9-2-5-11(6-3-9)16-14(18)12-8-10(15)4-7-13(12)17/h2-8,17H,1H3,(H,16,18)
InChIKey
PEGKLTMHXRUSDS-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-N-(4-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.00513 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01241 160.4
[M+Na]+ 327.99435 170.8
[M-H]- 303.99785 168.5
[M+NH4]+ 323.03895 178.1
[M+K]+ 343.96829 158.5
[M+H-H2O]+ 288.00239 159.0
[M+HCOO]- 350.00333 181.1
[M+CH3COO]- 364.01898 200.6
[M+Na-2H]- 325.97980 165.6
[M]+ 305.00458 178.0
[M]- 305.00568 178.0
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.