CID 11097730

Cyclanilide

Structural Information

Molecular Formula

C₁₁H₉Cl₂NO₃

SMILES

C1CC1(C(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)

InChIKey

GLWWLNJJJCTFMZ-UHFFFAOYSA-N

Compound name

1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 8320
Patents: 272.99594 Da
Monoisotopic Mass: 2.8
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]+	274.00322	146.8
[M+Na]+	295.98516	157.0
[M-H]-	271.98866	152.8
[M+NH4]+	291.02976	160.7
[M+K]+	311.95910	151.8
[M+H-H2O]+	255.99320	143.7
[M+HCOO]-	317.99414	160.4
[M+CH3COO]-	332.00979	196.6
[M+Na-2H]-	293.97061	151.1
[M]+	272.99539	152.1
[M]-	272.99649	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe