CID 66763747

1035490-58-4

Structural Information

Molecular Formula
C13H18FNO3
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C1=CC(=CC=C1)F
InChI
InChI=1S/C13H18FNO3/c1-13(2,3)18-12(17)15-11(8-16)9-5-4-6-10(14)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKey
PXLWDYOUWTYABH-LLVKDONJSA-N
Compound name
tert-butyl N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

255.12708 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13436 158.9
[M+Na]+ 278.11630 167.3
[M+NH4]+ 273.16090 164.3
[M+K]+ 294.09024 163.5
[M-H]- 254.11980 157.5
[M+Na-2H]- 276.10175 162.3
[M]+ 255.12653 159.3
[M]- 255.12763 159.3
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