CID 151194788

Tert-butyl n-[4-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]carbamate

Structural Information

Molecular Formula
C13H16F3NO3
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)[C@H](C(F)(F)F)O
InChI
InChI=1S/C13H16F3NO3/c1-12(2,3)20-11(19)17-9-6-4-8(5-7-9)10(18)13(14,15)16/h4-7,10,18H,1-3H3,(H,17,19)/t10-/m1/s1
InChIKey
NHBKIORJJQXPPC-SNVBAGLBSA-N
Compound name
tert-butyl N-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10822 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11550 162.6
[M+Na]+ 314.09744 168.8
[M-H]- 290.10094 161.0
[M+NH4]+ 309.14204 177.3
[M+K]+ 330.07138 166.8
[M+H-H2O]+ 274.10548 154.5
[M+HCOO]- 336.10642 178.0
[M+CH3COO]- 350.12207 200.2
[M+Na-2H]- 312.08289 165.4
[M]+ 291.10767 159.1
[M]- 291.10877 159.1
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.