CID 10658515

(3-amino-7-hydroxy-1-benzofuran-2-yl)(phenyl)methanone

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C(=CC=C3)O)N
InChI
InChI=1S/C15H11NO3/c16-12-10-7-4-8-11(17)14(10)19-15(12)13(18)9-5-2-1-3-6-9/h1-8,17H,16H2
InChIKey
ZGAUYGWURKFNCJ-UHFFFAOYSA-N
Compound name
(3-amino-7-hydroxy-1-benzofuran-2-yl)-phenylmethanone
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 154.1
[M+Na]+ 276.06312 164.0
[M-H]- 252.06662 162.0
[M+NH4]+ 271.10772 171.6
[M+K]+ 292.03706 160.6
[M+H-H2O]+ 236.07116 147.7
[M+HCOO]- 298.07210 178.0
[M+CH3COO]- 312.08775 167.6
[M+Na-2H]- 274.04857 159.5
[M]+ 253.07335 155.9
[M]- 253.07445 155.9
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.