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]+ 231.076416 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

No literature data available for this compound.

Patent stripe

patents stripe