CID 477488

Chembl105989

Structural Information

Molecular Formula
C14H13NO2
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NO
InChI
InChI=1S/C14H13NO2/c1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(9-12)15-17/h2-9,15,17H,1H3
InChIKey
NVQONKVLTFKPCC-UHFFFAOYSA-N
Compound name
[3-(hydroxyamino)phenyl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.09464 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.101916 149.5
[M+Na]+ 250.083858 156.6
[M-H]- 226.087364 155.2
[M+NH4]+ 245.128463 166.5
[M+K]+ 266.057798 152.8
[M+H-H2O]+ 210.091900 142.3
[M+HCOO]- 272.092841 173.0
[M+CH3COO]- 286.108491 190.8
[M+Na-2H]- 248.069306 154.8
[M]+ 227.09409142 148.3
[M]- 227.09518858 148.3
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.