CID 135152254

2231294-32-7

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂

SMILES

C1C(CO1)(C2=CC=C(C=C2)CCl)O

InChI

InChI=1S/C10H11ClO2/c11-5-8-1-3-9(4-2-8)10(12)6-13-7-10/h1-4,12H,5-7H2

InChIKey

LFMGJNUSGPWNMW-UHFFFAOYSA-N

Compound name

3-[4-(chloromethyl)phenyl]oxetan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 198.04475 Da
Monoisotopic Mass: 0.9
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]+	199.052026	132.1
[M+Na]+	221.033968	140.1
[M-H]-	197.037474	138.3
[M+NH4]+	216.078573	146.1
[M+K]+	237.007908	140.2
[M+H-H2O]+	181.042010	123.3
[M+HCOO]-	243.042951	148.6
[M+CH3COO]-	257.058601	181.8
[M+Na-2H]-	219.019416	140.5
[M]+	198.04420142	142.5
[M]-	198.04529858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe