CID 366915

Nsc635977

Structural Information

Molecular Formula

C₉H₈Cl₂O₂

SMILES

C1COC1OC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C9H8Cl2O2/c10-7-2-1-6(5-8(7)11)13-9-3-4-12-9/h1-2,5,9H,3-4H2

InChIKey

SEIBWBMVTNFOCR-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenoxy)oxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.99013 Da
Monoisotopic Mass: 3.3
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]+	218.997406	128.7
[M+Na]+	240.979348	138.0
[M-H]-	216.982854	135.3
[M+NH4]+	236.023953	141.4
[M+K]+	256.953288	137.7
[M+H-H2O]+	200.987390	119.8
[M+HCOO]-	262.988331	142.0
[M+CH3COO]-	277.003981	187.5
[M+Na-2H]-	238.964796	135.9
[M]+	217.98958142	141.6
[M]-	217.99067858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe