CID 380756

Nsc666463

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C(C=C1)N=C2C(=O)C3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C14H9NO3/c16-10-6-7-11-12(8-10)18-14(13(11)17)15-9-4-2-1-3-5-9/h1-8,16H
InChIKey
LSCKEBBFWSLSEX-UHFFFAOYSA-N
Compound name
6-hydroxy-2-phenylimino-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05824 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 148.7
[M+Na]+ 262.04746 158.2
[M-H]- 238.05096 157.9
[M+NH4]+ 257.09206 167.7
[M+K]+ 278.02140 155.4
[M+H-H2O]+ 222.05550 142.2
[M+HCOO]- 284.05644 173.5
[M+CH3COO]- 298.07209 162.8
[M+Na-2H]- 260.03291 155.5
[M]+ 239.05769 150.0
[M]- 239.05879 150.0
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.