CID 38056

38523-97-6

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₃

SMILES

CCOC(=O)C(CCl)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H14ClNO3/c1-2-17-12(16)10(8-13)14-11(15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,15)

InChIKey

UOGBATROIKVZPW-UHFFFAOYSA-N

Compound name

ethyl 2-benzamido-3-chloropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.06622 Da
Monoisotopic Mass: 2.1
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]+	256.07350	155.7
[M+Na]+	278.05544	161.6
[M-H]-	254.05894	158.9
[M+NH4]+	273.10004	172.9
[M+K]+	294.02938	158.7
[M+H-H2O]+	238.06348	150.0
[M+HCOO]-	300.06442	174.0
[M+CH3COO]-	314.08007	194.6
[M+Na-2H]-	276.04089	158.5
[M]+	255.06567	159.0
[M]-	255.06677	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe