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 202.9
[M+Na]+ 488.10320 206.9
[M-H]- 464.10670 197.1
[M+NH4]+ 483.14780 188.0
[M+K]+ 504.07714 206.2
[M+H-H2O]+ 448.11124 189.4
[M+HCOO]- 510.11218 194.9
[M+CH3COO]- 524.12783 233.2
[M+Na-2H]- 486.08865 202.5
[M]+ 465.11343 199.8
[M]- 465.11453 199.8
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.