CID 16661

1-nitro-2-phenoxybenzene

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H
InChIKey
VNHGETRQQSYUGZ-UHFFFAOYSA-N
Compound name
1-nitro-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

548
Patents

215.05824 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 144.1
[M+Na]+ 238.04746 150.9
[M-H]- 214.05096 151.0
[M+NH4]+ 233.09206 161.4
[M+K]+ 254.02140 144.4
[M+H-H2O]+ 198.05550 141.3
[M+HCOO]- 260.05644 170.4
[M+CH3COO]- 274.07209 180.8
[M+Na-2H]- 236.03291 153.3
[M]+ 215.05769 143.2
[M]- 215.05879 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe