CID 385494

Nsc676743

Structural Information

Molecular Formula
C20H25F3NO3P
SMILES
CC(C)OP(=O)(C(C1=CC=CC=C1)NC2=CC=CC(=C2)C(F)(F)F)OC(C)C
InChI
InChI=1S/C20H25F3NO3P/c1-14(2)26-28(25,27-15(3)4)19(16-9-6-5-7-10-16)24-18-12-8-11-17(13-18)20(21,22)23/h5-15,19,24H,1-4H3
InChIKey
AYIWGPDNEAZTHT-UHFFFAOYSA-N
Compound name
N-[di(propan-2-yloxy)phosphoryl-phenylmethyl]-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1524 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.15968 199.6
[M+Na]+ 438.14162 203.0
[M-H]- 414.14512 200.3
[M+NH4]+ 433.18622 209.5
[M+K]+ 454.11556 200.4
[M+H-H2O]+ 398.14966 186.4
[M+HCOO]- 460.15060 219.2
[M+CH3COO]- 474.16625 228.9
[M+Na-2H]- 436.12707 196.9
[M]+ 415.15185 198.6
[M]- 415.15295 198.6
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.