CID 23011830

4-tert-butylphenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C17H17FO2
SMILES
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2F
InChI
InChI=1S/C17H17FO2/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11H,1-3H3
InChIKey
PNOLACONAGUBHQ-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl) 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12125 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12853 161.7
[M+Na]+ 295.11047 169.5
[M-H]- 271.11397 167.4
[M+NH4]+ 290.15507 178.2
[M+K]+ 311.08441 166.1
[M+H-H2O]+ 255.11851 153.8
[M+HCOO]- 317.11945 182.1
[M+CH3COO]- 331.13510 199.1
[M+Na-2H]- 293.09592 165.7
[M]+ 272.12070 162.5
[M]- 272.12180 162.5
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.