CID 67618

N,n'-dibenzylphosphorodiamidic fluoride

Structural Information

Molecular Formula
C14H16FN2OP
SMILES
C1=CC=C(C=C1)CNP(=O)(NCC2=CC=CC=C2)F
InChI
InChI=1S/C14H16FN2OP/c15-19(18,16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
InChIKey
OKYJPMVMWCHFND-UHFFFAOYSA-N
Compound name
N-[(benzylamino)-fluorophosphoryl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.09842 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10570 163.1
[M+Na]+ 301.08764 167.9
[M-H]- 277.09114 166.6
[M+NH4]+ 296.13224 178.3
[M+K]+ 317.06158 163.7
[M+H-H2O]+ 261.09568 151.8
[M+HCOO]- 323.09662 192.1
[M+CH3COO]- 337.11227 203.2
[M+Na-2H]- 299.07309 167.7
[M]+ 278.09787 160.8
[M]- 278.09897 160.8
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

No patent data available for this compound.