CID 171655

65530-61-2

Structural Information

Molecular Formula

C₃H₆F₃O₄P

SMILES

C(COP(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C3H6F3O4P/c4-3(5,6)1-2-10-11(7,8)9/h1-2H2,(H2,7,8,9)

InChIKey

JRFGITQZJDGRPA-UHFFFAOYSA-N

Compound name

3,3,3-trifluoropropyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 49
Patents: 193.99557 Da
Monoisotopic Mass: -0.1
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]+	195.002846	136.4
[M+Na]+	216.984788	144.7
[M-H]-	192.988294	129.4
[M+NH4]+	212.029393	155.0
[M+K]+	232.958728	143.9
[M+H-H2O]+	176.992830	128.3
[M+HCOO]-	238.993771	158.1
[M+CH3COO]-	253.009421	175.3
[M+Na-2H]-	214.970236	140.6
[M]+	193.99502142	134.5
[M]-	193.99611858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe