CID 136203

370-69-4

Structural Information

Molecular Formula

C₆H₆F₉O₃P

SMILES

C(C(F)(F)F)OP(OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C6H6F9O3P/c7-4(8,9)1-16-19(17-2-5(10,11)12)18-3-6(13,14)15/h1-3H2

InChIKey

CBIQXUBDNNXYJM-UHFFFAOYSA-N

Compound name

tris(2,2,2-trifluoroethyl) phosphite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2180
Patents: 327.9911 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.99838	165.0
[M+Na]+	350.98032	173.3
[M-H]-	326.98382	153.1
[M+NH4]+	346.02492	179.1
[M+K]+	366.95426	172.2
[M+H-H2O]+	310.98836	151.0
[M+HCOO]-	372.98930	179.1
[M+CH3COO]-	387.00495	206.0
[M+Na-2H]-	348.96577	164.9
[M]+	327.99055	157.4
[M]-	327.99165	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe