CID 849155

4'-chloro-1-cyclopropanecarboxanilide

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

C1CC1C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H10ClNO/c11-8-3-5-9(6-4-8)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)

InChIKey

YIFUPROJAQGGGQ-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)cyclopropanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 195.04509 Da
Monoisotopic Mass: 2.6
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]+	196.05237	135.6
[M+Na]+	218.03431	145.2
[M-H]-	194.03781	143.1
[M+NH4]+	213.07891	150.8
[M+K]+	234.00825	140.7
[M+H-H2O]+	178.04235	129.9
[M+HCOO]-	240.04329	156.5
[M+CH3COO]-	254.05894	187.1
[M+Na-2H]-	216.01976	141.9
[M]+	195.04454	138.7
[M]-	195.04564	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe