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	135.3
[M+Na]+	201.98513	138.9
[M+NH4]+	197.02973	138.0
[M+K]+	217.95907	138.7
[M-H]-	177.98863	127.0
[M+Na-2H]-	199.97058	134.1
[M]+	178.99536	132.6
[M]-	178.99646	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe