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]+ 228.10192 149.5
[M+Na]+ 250.08386 156.6
[M-H]- 226.08736 155.2
[M+NH4]+ 245.12846 166.5
[M+K]+ 266.05780 152.8
[M+H-H2O]+ 210.09190 142.3
[M+HCOO]- 272.09284 173.0
[M+CH3COO]- 286.10849 190.8
[M+Na-2H]- 248.06931 154.8
[M]+ 227.09409 148.3
[M]- 227.09519 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.