CID 385491

Nsc676740

Structural Information

Molecular Formula
C17H20ClFNO3P
SMILES
CCOP(=O)(C(C1=CC=C(C=C1)F)NC2=CC=C(C=C2)Cl)OCC
InChI
InChI=1S/C17H20ClFNO3P/c1-3-22-24(21,23-4-2)17(13-5-9-15(19)10-6-13)20-16-11-7-14(18)8-12-16/h5-12,17,20H,3-4H2,1-2H3
InChIKey
DHXFWTGNJAEWPY-UHFFFAOYSA-N
Compound name
4-chloro-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.08533 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09261 184.7
[M+Na]+ 394.07455 191.3
[M-H]- 370.07805 188.7
[M+NH4]+ 389.11915 197.9
[M+K]+ 410.04849 186.6
[M+H-H2O]+ 354.08259 174.0
[M+HCOO]- 416.08353 206.7
[M+CH3COO]- 430.09918 218.0
[M+Na-2H]- 392.06000 184.9
[M]+ 371.08478 189.7
[M]- 371.08588 189.7
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.