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 153.8
[M+Na]+ 284.02157 162.3
[M-H]- 260.02507 157.0
[M+NH4]+ 279.06617 171.9
[M+K]+ 299.99551 157.8
[M+H-H2O]+ 244.02961 149.6
[M+HCOO]- 306.03055 167.9
[M+CH3COO]- 320.04620 197.0
[M+Na-2H]- 282.00702 156.2
[M]+ 261.03180 158.5
[M]- 261.03290 158.5
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