CID 383547

Nsc671965

Structural Information

Molecular Formula
C8H10F6NO5P
SMILES
COC(=O)NC(C(F)(F)F)(C(F)(F)F)P1(=O)OCCCO1
InChI
InChI=1S/C8H10F6NO5P/c1-18-5(16)15-6(7(9,10)11,8(12,13)14)21(17)19-3-2-4-20-21/h2-4H2,1H3,(H,15,16)
InChIKey
QZENBZDNDPWRAA-UHFFFAOYSA-N
Compound name
methyl N-[1,1,1,3,3,3-hexafluoro-2-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.02008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.02736 169.0
[M+Na]+ 368.00930 175.2
[M-H]- 344.01280 164.5
[M+NH4]+ 363.05390 181.3
[M+K]+ 383.98324 177.0
[M+H-H2O]+ 328.01734 157.6
[M+HCOO]- 390.01828 183.2
[M+CH3COO]- 404.03393 206.1
[M+Na-2H]- 365.99475 174.2
[M]+ 345.01953 162.0
[M]- 345.02063 162.0
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.