CID 382503

Nsc670109

Structural Information

Molecular Formula
C15H18F6NO4P
SMILES
CCOP(=O)(C(C1=CC=CC=C1)NC(=O)C(C(F)(F)F)C(F)(F)F)OCC
InChI
InChI=1S/C15H18F6NO4P/c1-3-25-27(24,26-4-2)13(10-8-6-5-7-9-10)22-12(23)11(14(16,17)18)15(19,20)21/h5-9,11,13H,3-4H2,1-2H3,(H,22,23)
InChIKey
YULVLLMJUKAERH-UHFFFAOYSA-N
Compound name
N-[diethoxyphosphoryl(phenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.08777 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.09505 192.8
[M+Na]+ 444.07699 197.4
[M-H]- 420.08049 186.8
[M+NH4]+ 439.12159 202.5
[M+K]+ 460.05093 195.5
[M+H-H2O]+ 404.08503 178.9
[M+HCOO]- 466.08597 208.4
[M+CH3COO]- 480.10162 225.6
[M+Na-2H]- 442.06244 191.1
[M]+ 421.08722 188.3
[M]- 421.08832 188.3
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.