CID 3044786

57668-23-2

Structural Information

Molecular Formula
C18H16NO2P
SMILES
C1=CC=C(C=C1)NP(=O)(C2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H16NO2P/c20-22(18-14-8-3-9-15-18,19-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-15H,(H,19,20)
InChIKey
DGECWEILHYKJBU-UHFFFAOYSA-N
Compound name
N-[phenoxy(phenyl)phosphoryl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

309.09186 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09914 172.0
[M+Na]+ 332.08108 176.9
[M-H]- 308.08458 179.8
[M+NH4]+ 327.12568 185.5
[M+K]+ 348.05502 172.4
[M+H-H2O]+ 292.08912 160.3
[M+HCOO]- 354.09006 201.0
[M+CH3COO]- 368.10571 205.6
[M+Na-2H]- 330.06653 177.0
[M]+ 309.09131 171.2
[M]- 309.09241 171.2
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