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]+ 252.10192 167.2
[M+Na]+ 274.08386 175.6
[M-H]- 250.08736 169.8
[M+NH4]+ 269.12846 180.8
[M+K]+ 290.05780 168.5
[M+H-H2O]+ 234.09190 154.0
[M+HCOO]- 296.09284 183.5
[M+CH3COO]- 310.10849 197.5
[M+Na-2H]- 272.06931 172.4
[M]+ 251.09409 159.5
[M]- 251.09519 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.