CID 49820457

1256490-52-4

Structural Information

Molecular Formula
C18H17F5NO5P
SMILES
C[C@@H](C(=O)OC(C)C)NP(=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C18H17F5NO5P/c1-9(2)27-18(25)10(3)24-30(26,28-11-7-5-4-6-8-11)29-17-15(22)13(20)12(19)14(21)16(17)23/h4-10H,1-3H3,(H,24,26)/t10-,30?/m0/s1
InChIKey
MIILDBHEJQLACD-KPORQTCDSA-N
Compound name
propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

470
Patents

453.07645 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.08373 199.7
[M+Na]+ 476.06567 204.2
[M+NH4]+ 471.11027 199.8
[M+K]+ 492.03961 201.4
[M-H]- 452.06917 194.0
[M+Na-2H]- 474.05112 199.3
[M]+ 453.07590 198.0
[M]- 453.07700 198.0
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

patents stripe