CID 20329701

2-nitro-3-phenoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

230.06914 Da
Monoisotopic Mass

3.2
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

No literature data available for this compound.

Patent stripe

patents stripe