CID 6399103

Nsc 65028

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)C2/C(=N\O)/C(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C15H11NO3/c17-14-11-8-4-5-9-12(11)19-15(13(14)16-18)10-6-2-1-3-7-10/h1-9,15,18H/b16-13-
InChIKey
UPAMVIOAWHMBTC-SSZFMOIBSA-N
Compound name
(3E)-3-hydroxyimino-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0739 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 153.3
[M+Na]+ 276.06312 161.4
[M-H]- 252.06662 161.8
[M+NH4]+ 271.10772 169.6
[M+K]+ 292.03706 158.6
[M+H-H2O]+ 236.07116 145.5
[M+HCOO]- 298.07210 175.4
[M+CH3COO]- 312.08775 166.1
[M+Na-2H]- 274.04857 161.2
[M]+ 253.07335 152.6
[M]- 253.07445 152.6
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.