CID 71813

Loprodiol

Structural Information

Molecular Formula

C₅H₁₀Cl₂O₂

SMILES

C(C(CO)(CCl)CCl)O

InChI

InChI=1S/C5H10Cl2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2

InChIKey

YFESJHPTNWYOCO-UHFFFAOYSA-N

Compound name

2,2-bis(chloromethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 229
Patents: 172.00578 Da
Monoisotopic Mass: 0.2
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]+	173.013056	131.8
[M+Na]+	194.994998	140.2
[M-H]-	170.998504	129.1
[M+NH4]+	190.039603	152.3
[M+K]+	210.968938	135.7
[M+H-H2O]+	155.003040	130.3
[M+HCOO]-	217.003981	142.4
[M+CH3COO]-	231.019631	172.0
[M+Na-2H]-	192.980446	138.0
[M]+	172.00523142	133.8
[M]-	172.00632858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe