CID 27982

Ethephon

Structural Information

Molecular Formula

C₂H₆ClO₃P

SMILES

C(CCl)P(=O)(O)O

InChI

InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)

InChIKey

UDPGUMQDCGORJQ-UHFFFAOYSA-N

Compound name

2-chloroethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 364
References: 26473
Patents: 143.9743 Da
Monoisotopic Mass: -1.0
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]+	144.981576	125.0
[M+Na]+	166.963518	134.1
[M-H]-	142.967024	122.1
[M+NH4]+	162.008123	146.7
[M+K]+	182.937458	131.7
[M+H-H2O]+	126.971560	120.7
[M+HCOO]-	188.972501	147.1
[M+CH3COO]-	202.988151	166.0
[M+Na-2H]-	164.948966	130.0
[M]+	143.97375142	127.5
[M]-	143.97484858	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe