CID 5468626

Nsc673091

Structural Information

Molecular Formula
C19H16F6NO4P
SMILES
CCOP(=O)(/C(=C/C1=CC=C(O1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/C#N)OCC
InChI
InChI=1S/C19H16F6NO4P/c1-3-28-31(27,29-4-2)16(11-26)10-15-5-6-17(30-15)12-7-13(18(20,21)22)9-14(8-12)19(23,24)25/h5-10H,3-4H2,1-2H3/b16-10+
InChIKey
GPVIEPUQMRVGEW-MHWRWJLKSA-N
Compound name
(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-diethoxyphosphorylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.0721 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.07938 196.7
[M+Na]+ 490.06132 205.7
[M-H]- 466.06482 194.4
[M+NH4]+ 485.10592 204.5
[M+K]+ 506.03526 202.2
[M+H-H2O]+ 450.06936 177.0
[M+HCOO]- 512.07030 210.2
[M+CH3COO]- 526.08595 238.3
[M+Na-2H]- 488.04677 194.5
[M]+ 467.07155 190.0
[M]- 467.07265 190.0
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.