CID 80089

(trichloromethyl)phosphonic acid

Structural Information

Molecular Formula

CH₂Cl₃O₃P

SMILES

C(P(=O)(O)O)(Cl)(Cl)Cl

InChI

InChI=1S/CH2Cl3O3P/c2-1(3,4)8(5,6)7/h(H2,5,6,7)

InChIKey

NWEPJDPAVFDLBY-UHFFFAOYSA-N

Compound name

trichloromethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 214
Patents: 197.8807 Da
Monoisotopic Mass: 0.3
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]+	198.88798	128.8
[M+Na]+	220.86992	139.2
[M-H]-	196.87342	125.6
[M+NH4]+	215.91452	148.9
[M+K]+	236.84386	134.7
[M+H-H2O]+	180.87796	127.1
[M+HCOO]-	242.87890	139.4
[M+CH3COO]-	256.89455	173.8
[M+Na-2H]-	218.85537	134.1
[M]+	197.88015	131.1
[M]-	197.88125	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe