CID 16683928

(2r,3r)-2-(2,4-difluorophenyl)-3-[[2-[(1e,3e)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl]phosphanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Structural Information

Molecular Formula
C29H30F6N3O4P
SMILES
C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)PC3COC(OC3)/C=C/C=C/C4=CC=C(C=C4)OCC(C(F)F)(F)F
InChI
InChI=1S/C29H30F6N3O4P/c1-19(28(39,15-38-18-36-17-37-38)24-11-8-21(30)12-25(24)31)43-23-13-40-26(41-14-23)5-3-2-4-20-6-9-22(10-7-20)42-16-29(34,35)27(32)33/h2-12,17-19,23,26-27,39,43H,13-16H2,1H3/b4-2+,5-3+/t19-,23?,26?,28-,43?/m1/s1
InChIKey
GEPIYSMJYAOIAG-CPHRTWTNSA-N
Compound name
(2R,3R)-2-(2,4-difluorophenyl)-3-[[2-[(1E,3E)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl]phosphanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

629.1878 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.19508 231.1
[M+Na]+ 652.17702 233.8
[M+NH4]+ 647.22162 229.1
[M+K]+ 668.15096 231.8
[M-H]- 628.18052 226.9
[M+Na-2H]- 650.16247 229.4
[M]+ 629.18725 229.6
[M]- 629.18835 229.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.