CID 383543

Nsc671961

Structural Information

Molecular Formula
C10H16F6NO5P
SMILES
CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC)OCC
InChI
InChI=1S/C10H16F6NO5P/c1-4-20-7(18)17-8(9(11,12)13,10(14,15)16)23(19,21-5-2)22-6-3/h4-6H2,1-3H3,(H,17,18)
InChIKey
LNBKHNFBZUZDFR-UHFFFAOYSA-N
Compound name
ethyl N-(2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.06702 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.07430 168.6
[M+Na]+ 398.05624 176.5
[M-H]- 374.05974 173.0
[M+NH4]+ 393.10084 176.3
[M+K]+ 414.03018 185.5
[M+H-H2O]+ 358.06428 167.6
[M+HCOO]- 420.06522 188.1
[M+CH3COO]- 434.08087 215.8
[M+Na-2H]- 396.04169 182.0
[M]+ 375.06647 166.0
[M]- 375.06757 166.0
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.