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]+ 334.06075 170.1
[M+Na]+ 356.04269 177.4
[M-H]- 332.04619 172.3
[M+NH4]+ 351.08729 184.8
[M+K]+ 372.01663 173.1
[M+H-H2O]+ 316.05073 166.4
[M+HCOO]- 378.05167 180.2
[M+CH3COO]- 392.06732 206.7
[M+Na-2H]- 354.02814 170.7
[M]+ 333.05292 175.3
[M]- 333.05402 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.