CID 211166

Benzenamine, 3-(4-nitrophenoxy)-

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C12H10N2O3/c13-9-2-1-3-12(8-9)17-11-6-4-10(5-7-11)14(15)16/h1-8H,13H2
InChIKey
XTMXKDRGJKFRQL-UHFFFAOYSA-N
Compound name
3-(4-nitrophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

72
Patents

230.06914 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.076416 147.1
[M+Na]+ 253.058358 153.8
[M-H]- 229.061864 153.7
[M+NH4]+ 248.102963 163.4
[M+K]+ 269.032298 146.8
[M+H-H2O]+ 213.066400 144.0
[M+HCOO]- 275.067341 173.7
[M+CH3COO]- 289.082991 185.8
[M+Na-2H]- 251.043806 155.1
[M]+ 230.06859142 144.8
[M]- 230.06968858 144.8
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