CID 199007

3611-66-3

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C15H11NO4/c17-15(10-5-7-12(8-6-10)16(18)19)14-9-11-3-1-2-4-13(11)20-14/h1-9,15,17H
InChIKey
VPVXOXQYVCWECX-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl-(4-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

269.06882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 156.0
[M+Na]+ 292.05804 171.3
[M+NH4]+ 287.10264 164.6
[M+K]+ 308.03198 169.3
[M-H]- 268.06154 162.7
[M+Na-2H]- 290.04349 163.9
[M]+ 269.06827 160.1
[M]- 269.06937 160.1
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

patents stripe