CID 223329

4-nitro-2-phenoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

230.06914 Da
Monoisotopic Mass

3.0
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