CID 205845

Brn 1217204

Structural Information

Molecular Formula

C₁₀H₈Cl₃NO₂

SMILES

C1=C2C(=CC(=C1Cl)Cl)OC(=O)N2CCCCl

InChI

InChI=1S/C10H8Cl3NO2/c11-2-1-3-14-8-4-6(12)7(13)5-9(8)16-10(14)15/h4-5H,1-3H2

InChIKey

UOGNBYOLCXPEKZ-UHFFFAOYSA-N

Compound name

5,6-dichloro-3-(3-chloropropyl)-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 278.96207 Da
Monoisotopic Mass: 3.5
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]+	279.96935	154.4
[M+Na]+	301.95129	168.3
[M-H]-	277.95479	157.3
[M+NH4]+	296.99589	172.7
[M+K]+	317.92523	162.8
[M+H-H2O]+	261.95933	150.1
[M+HCOO]-	323.96027	163.3
[M+CH3COO]-	337.97592	167.5
[M+Na-2H]-	299.93674	158.7
[M]+	278.96152	162.9
[M]-	278.96262	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe