CID 11402952

2-fluoro-dl-phenylglycine, n-boc protected

Structural Information

Molecular Formula
C13H16FNO4
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CC=C1F)C(=O)O
InChI
InChI=1S/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChIKey
IUFATHQIUYUCFE-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

269.10632 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11360 159.1
[M+Na]+ 292.09554 164.7
[M-H]- 268.09904 160.1
[M+NH4]+ 287.14014 174.5
[M+K]+ 308.06948 163.6
[M+H-H2O]+ 252.10358 152.3
[M+HCOO]- 314.10452 177.6
[M+CH3COO]- 328.12017 197.1
[M+Na-2H]- 290.08099 161.1
[M]+ 269.10577 158.8
[M]- 269.10687 158.8
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