CID 4429328

211571-54-9

Structural Information

Molecular Formula

C₂H₅F₃NO₃P

SMILES

C(C(F)(F)F)(N)P(=O)(O)O

InChI

InChI=1S/C2H5F3NO3P/c3-2(4,5)1(6)10(7,8)9/h1H,6H2,(H2,7,8,9)

InChIKey

BPFQMPHPVHHLHD-UHFFFAOYSA-N

Compound name

(1-amino-2,2,2-trifluoroethyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 178.99591 Da
Monoisotopic Mass: -3.5
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]+	180.00319	132.8
[M+Na]+	201.98513	140.4
[M-H]-	177.98863	125.4
[M+NH4]+	197.02973	151.3
[M+K]+	217.95907	139.5
[M+H-H2O]+	161.99317	124.6
[M+HCOO]-	223.99411	153.9
[M+CH3COO]-	238.00976	175.4
[M+Na-2H]-	199.97058	135.2
[M]+	178.99536	126.4
[M]-	178.99646	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe