CID 382506

Nsc670113

Structural Information

Molecular Formula
C9H17F3NO5P
SMILES
CCOP(=O)(C(C)(C)OC(=O)NC(F)(F)F)OCC
InChI
InChI=1S/C9H17F3NO5P/c1-5-16-19(15,17-6-2)8(3,4)18-7(14)13-9(10,11)12/h5-6H2,1-4H3,(H,13,14)
InChIKey
FTLYMVODDOIMGW-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylpropan-2-yl N-(trifluoromethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.07965 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08693 166.8
[M+Na]+ 330.06887 172.9
[M-H]- 306.07237 162.0
[M+NH4]+ 325.11347 170.2
[M+K]+ 346.04281 173.6
[M+H-H2O]+ 290.07691 157.4
[M+HCOO]- 352.07785 183.7
[M+CH3COO]- 366.09350 204.6
[M+Na-2H]- 328.05432 170.0
[M]+ 307.07910 169.4
[M]- 307.08020 169.4
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.