CID 54318970

1821776-48-0

Structural Information

Molecular Formula
C11H13Cl2NO2
SMILES
CCOC(=O)[C@H](C)NC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C11H13Cl2NO2/c1-3-16-11(15)7(2)14-10-5-8(12)4-9(13)6-10/h4-7,14H,3H2,1-2H3/t7-/m0/s1
InChIKey
SQGCTFGYSYZWMQ-ZETCQYMHSA-N
Compound name
ethyl (2S)-2-(3,5-dichloroanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

261.03235 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03963 154.0
[M+Na]+ 284.02157 166.8
[M+NH4]+ 279.06617 162.0
[M+K]+ 299.99551 160.0
[M-H]- 260.02507 155.8
[M+Na-2H]- 282.00702 159.8
[M]+ 261.03180 156.8
[M]- 261.03290 156.8
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

patents stripe