CID 11335616

Boc-2,5-difluoro-d-phenylalanine

Structural Information

Molecular Formula
C14H17F2NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=C(C=CC(=C1)F)F)C(=O)O
InChI
InChI=1S/C14H17F2NO4/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
DYSZJZJRRBKIDS-LLVKDONJSA-N
Compound name
(2R)-3-(2,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

301.11258 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11986 168.8
[M+Na]+ 324.10180 175.4
[M+NH4]+ 319.14640 172.1
[M+K]+ 340.07574 172.9
[M-H]- 300.10530 164.8
[M+Na-2H]- 322.08725 170.0
[M]+ 301.11203 168.0
[M]- 301.11313 168.0
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