CID 80251

4-(4-nitrophenoxy)aniline

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC(=CC=C1N)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
InChIKey
ASAOLTVUTGZJST-UHFFFAOYSA-N
Compound name
4-(4-nitrophenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

256
Patents

230.06914 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 147.1
[M+Na]+ 253.05836 153.8
[M-H]- 229.06186 153.7
[M+NH4]+ 248.10296 163.4
[M+K]+ 269.03230 146.8
[M+H-H2O]+ 213.06640 144.0
[M+HCOO]- 275.06734 173.7
[M+CH3COO]- 289.08299 185.8
[M+Na-2H]- 251.04381 155.1
[M]+ 230.06859 144.8
[M]- 230.06969 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