CID 385498

Nsc676747

Structural Information

Molecular Formula
C17H21FNO3P
SMILES
CCOP(=O)(C(C1=CC=CC=C1)NC2=CC(=CC=C2)F)OCC
InChI
InChI=1S/C17H21FNO3P/c1-3-21-23(20,22-4-2)17(14-9-6-5-7-10-14)19-16-12-8-11-15(18)13-16/h5-13,17,19H,3-4H2,1-2H3
InChIKey
WIIUAPPPPXMPEP-UHFFFAOYSA-N
Compound name
N-[diethoxyphosphoryl(phenyl)methyl]-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1243 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13158 180.5
[M+Na]+ 360.11352 185.2
[M-H]- 336.11702 184.0
[M+NH4]+ 355.15812 193.7
[M+K]+ 376.08746 182.2
[M+H-H2O]+ 320.12156 168.8
[M+HCOO]- 382.12250 206.9
[M+CH3COO]- 396.13815 213.3
[M+Na-2H]- 358.09897 181.5
[M]+ 337.12375 182.6
[M]- 337.12485 182.6
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.