CID 78438

Benzenephosphonanilide

Structural Information

Molecular Formula
C18H17N2OP
SMILES
C1=CC=C(C=C1)NP(=O)(C2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C18H17N2OP/c21-22(18-14-8-3-9-15-18,19-16-10-4-1-5-11-16)20-17-12-6-2-7-13-17/h1-15H,(H2,19,20,21)
InChIKey
QXKWWWLBIJJKTJ-UHFFFAOYSA-N
Compound name
N-[anilino(phenyl)phosphoryl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

308.10785 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11513 171.1
[M+Na]+ 331.09707 175.2
[M-H]- 307.10057 178.7
[M+NH4]+ 326.14167 184.3
[M+K]+ 347.07101 170.0
[M+H-H2O]+ 291.10511 159.3
[M+HCOO]- 353.10605 200.9
[M+CH3COO]- 367.12170 208.5
[M+Na-2H]- 329.08252 176.6
[M]+ 308.10730 168.3
[M]- 308.10840 168.3
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