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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07350 155.4
[M+Na]+ 278.05544 165.9
[M+NH4]+ 273.10004 162.2
[M+K]+ 294.02938 160.5
[M-H]- 254.05894 156.3
[M+Na-2H]- 276.04089 160.5
[M]+ 255.06567 157.1
[M]- 255.06677 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.