CID 445896

Alpha-n-dichloroacetyl-p-aminophenylserinol

Structural Information

Molecular Formula
C11H14Cl2N2O3
SMILES
C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N
InChI
InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1
InChIKey
BFLNGKUCFYKCFZ-RKDXNWHRSA-N
Compound name
N-[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

15
Patents

292.03815 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04543 160.8
[M+Na]+ 315.02737 166.1
[M-H]- 291.03087 160.7
[M+NH4]+ 310.07197 175.2
[M+K]+ 331.00131 161.4
[M+H-H2O]+ 275.03541 156.9
[M+HCOO]- 337.03635 170.9
[M+CH3COO]- 351.05200 199.6
[M+Na-2H]- 313.01282 160.0
[M]+ 292.03760 160.2
[M]- 292.03870 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe