CID 4494604

618403-00-2

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₂

SMILES

CC(C)NC(=O)C1=CC=C(O1)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H14ClNO2/c1-9(2)16-14(17)13-8-7-12(18-13)10-5-3-4-6-11(10)15/h3-9H,1-2H3,(H,16,17)

InChIKey

ACKWVASVFBTRST-UHFFFAOYSA-N

Compound name

5-(2-chlorophenyl)-N-propan-2-ylfuran-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.07132 Da
Monoisotopic Mass: 3.7
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]+	264.078596	160.6
[M+Na]+	286.060538	168.7
[M-H]-	262.064044	168.3
[M+NH4]+	281.105143	178.3
[M+K]+	302.034478	165.3
[M+H-H2O]+	246.068580	154.6
[M+HCOO]-	308.069521	179.8
[M+CH3COO]-	322.085171	197.1
[M+Na-2H]-	284.045986	162.8
[M]+	263.07077142	164.1
[M]-	263.07186858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.