CID 135341853

Tert-butyl (2s)-2-(3-fluoro-4-phenylphenyl)propanoate

Structural Information

Molecular Formula
C19H21FO2
SMILES
C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H21FO2/c1-13(18(21)22-19(2,3)4)15-10-11-16(17(20)12-15)14-8-6-5-7-9-14/h5-13H,1-4H3/t13-/m0/s1
InChIKey
JPOAUYHZGGGXHU-ZDUSSCGKSA-N
Compound name
tert-butyl (2S)-2-(3-fluoro-4-phenylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

300.15256 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15984 170.4
[M+Na]+ 323.14178 177.0
[M-H]- 299.14528 175.8
[M+NH4]+ 318.18638 185.6
[M+K]+ 339.11572 173.7
[M+H-H2O]+ 283.14982 162.2
[M+HCOO]- 345.15076 189.1
[M+CH3COO]- 359.16641 205.9
[M+Na-2H]- 321.12723 172.2
[M]+ 300.15201 171.2
[M]- 300.15311 171.2
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