CID 99854

71672-80-5

Structural Information

Molecular Formula

C₇H₈Cl₃NO₂

SMILES

C1CC2(C(O2)(C(C1)(Cl)Cl)C(=O)N)Cl

InChI

InChI=1S/C7H8Cl3NO2/c8-5(9)2-1-3-6(10)7(5,13-6)4(11)12/h1-3H2,(H2,11,12)

InChIKey

RJDOGZFPFXYFDM-UHFFFAOYSA-N

Compound name

2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.96207 Da
Monoisotopic Mass: 1.2
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]+	243.969346	138.5
[M+Na]+	265.951288	148.8
[M-H]-	241.954794	142.3
[M+NH4]+	260.995893	156.7
[M+K]+	281.925228	146.7
[M+H-H2O]+	225.959330	138.4
[M+HCOO]-	287.960271	143.0
[M+CH3COO]-	301.975921	192.0
[M+Na-2H]-	263.936736	146.2
[M]+	242.96152142	142.0
[M]-	242.96261858	142.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.