CID 25419

Clodronic acid

Structural Information

Molecular Formula

CH₄Cl₂O₆P₂

SMILES

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

InChI

InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)

InChIKey

ACSIXWWBWUQEHA-UHFFFAOYSA-N

Compound name

[dichloro(phosphono)methyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2380
References: 54932
Patents: 243.88602 Da
Monoisotopic Mass: -2.1
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]+	244.89330	139.5
[M+Na]+	266.87524	148.8
[M-H]-	242.87874	133.8
[M+NH4]+	261.91984	156.8
[M+K]+	282.84918	145.2
[M+H-H2O]+	226.88328	135.3
[M+HCOO]-	288.88422	157.0
[M+CH3COO]-	302.89987	177.0
[M+Na-2H]-	264.86069	144.9
[M]+	243.88547	142.7
[M]-	243.88657	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe