CID 15003092

54094-19-8

Structural Information

Molecular Formula
C12H14F3O5P
SMILES
COP(=O)(CC(=O)COC1=CC=CC(=C1)C(F)(F)F)OC
InChI
InChI=1S/C12H14F3O5P/c1-18-21(17,19-2)8-10(16)7-20-11-5-3-4-9(6-11)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKey
MBGWNNJXMYHKQO-UHFFFAOYSA-N
Compound name
1-dimethoxyphosphoryl-3-[3-(trifluoromethyl)phenoxy]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

326.0531 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06038 169.8
[M+Na]+ 349.04232 177.2
[M-H]- 325.04582 168.3
[M+NH4]+ 344.08692 184.2
[M+K]+ 365.01626 176.1
[M+H-H2O]+ 309.05036 158.8
[M+HCOO]- 371.05130 192.5
[M+CH3COO]- 385.06695 206.0
[M+Na-2H]- 347.02777 171.4
[M]+ 326.05255 173.0
[M]- 326.05365 173.0
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