CID 3007238

Schembl5150476

Structural Information

Molecular Formula

C₁₇H₁₀Cl₃FN₂O₂

SMILES

C1=CC(=CC(=C1)NC(=O)C(Cl)Cl)C2=CC(=NO2)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H10Cl3FN2O2/c18-11-5-2-6-12(21)15(11)13-8-14(25-23-13)9-3-1-4-10(7-9)22-17(24)16(19)20/h1-8,16H,(H,22,24)

InChIKey

ICPJRCCFIKBNRW-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-[3-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 397.9792 Da
Monoisotopic Mass: 4.9
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]+	398.986476	186.3
[M+Na]+	420.968418	196.2
[M-H]-	396.971924	192.7
[M+NH4]+	416.013023	197.6
[M+K]+	436.942358	189.7
[M+H-H2O]+	380.976460	177.9
[M+HCOO]-	442.977401	192.7
[M+CH3COO]-	456.993051	196.0
[M+Na-2H]-	418.953866	185.3
[M]+	397.97865142	190.7
[M]-	397.97974858	190.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe