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

21
Patents

230.06914 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 147.5
[M+Na]+ 253.05836 162.0
[M+NH4]+ 248.10296 156.0
[M+K]+ 269.03230 157.8
[M-H]- 229.06186 153.8
[M+Na-2H]- 251.04381 156.8
[M]+ 230.06859 151.2
[M]- 230.06969 151.2
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