CID 9576756

Brn 2621941

Structural Information

Molecular Formula
C16H13NO2
SMILES
C1=CC=C(C=C1)C#CC(/C=N/O)(C2=CC=CC=C2)O
InChI
InChI=1S/C16H13NO2/c18-16(13-17-19,15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,13,18-19H/b17-13+
InChIKey
FAULKGIMXGQRPX-GHRIWEEISA-N
Compound name
(1E)-1-hydroxyimino-2,4-diphenylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.101916 167.2
[M+Na]+ 274.083858 175.6
[M-H]- 250.087364 169.8
[M+NH4]+ 269.128463 180.8
[M+K]+ 290.057798 168.5
[M+H-H2O]+ 234.091900 154.0
[M+HCOO]- 296.092841 183.5
[M+CH3COO]- 310.108491 197.5
[M+Na-2H]- 272.069306 172.4
[M]+ 251.09409142 159.5
[M]- 251.09518858 159.5
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.