CID 75899

2-phenoxyaniline

Structural Information

Molecular Formula
C12H11NO
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2N
InChI
InChI=1S/C12H11NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2
InChIKey
NMFFUUFPJJOWHK-UHFFFAOYSA-N
Compound name
2-phenoxyaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

13451
Patents

185.08406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 138.0
[M+Na]+ 208.07328 145.6
[M-H]- 184.07678 144.5
[M+NH4]+ 203.11788 157.1
[M+K]+ 224.04722 142.2
[M+H-H2O]+ 168.08132 130.9
[M+HCOO]- 230.08226 163.7
[M+CH3COO]- 244.09791 183.4
[M+Na-2H]- 206.05873 145.9
[M]+ 185.08351 136.5
[M]- 185.08461 136.5
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