CID 71304145

Boc-2,5-dichloro-d-phenylalanine

Structural Information

Molecular Formula
C14H17Cl2NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=C(C=CC(=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-6-9(15)4-5-10(8)16/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKey
MAPXGUCNAIICIY-LLVKDONJSA-N
Compound name
(2R)-3-(2,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.05347 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.060746 170.1
[M+Na]+ 356.042688 177.4
[M-H]- 332.046194 172.3
[M+NH4]+ 351.087293 184.8
[M+K]+ 372.016628 173.1
[M+H-H2O]+ 316.050730 166.4
[M+HCOO]- 378.051671 180.2
[M+CH3COO]- 392.067321 206.7
[M+Na-2H]- 354.028136 170.7
[M]+ 333.05292142 175.3
[M]- 333.05401858 175.3
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.