CID 3073003

145430-04-2

Structural Information

Molecular Formula
C17H22F6NO5P
SMILES
CC(C)OP(=O)(C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)OC(C)C
InChI
InChI=1S/C17H22F6NO5P/c1-11(2)28-30(26,29-12(3)4)15(16(18,19)20,17(21,22)23)24-14(25)27-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,24,25)
InChIKey
MWFVVNXUXMZAHU-UHFFFAOYSA-N
Compound name
benzyl N-[2-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.11398 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.12126 200.2
[M+Na]+ 488.10320 200.4
[M+NH4]+ 483.14780 198.7
[M+K]+ 504.07714 199.7
[M-H]- 464.10670 190.6
[M+Na-2H]- 486.08865 197.4
[M]+ 465.11343 196.8
[M]- 465.11453 196.8
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.