CID 12193568

Tert-butyl 2-fluorobenzoate

Structural Information

Molecular Formula
C11H13FO2
SMILES
CC(C)(C)OC(=O)C1=CC=CC=C1F
InChI
InChI=1S/C11H13FO2/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7H,1-3H3
InChIKey
JHOWHSGOBPRECA-UHFFFAOYSA-N
Compound name
tert-butyl 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

196.08995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09723 143.5
[M+Na]+ 219.07917 155.0
[M+NH4]+ 214.12377 150.9
[M+K]+ 235.05311 149.6
[M-H]- 195.08267 143.3
[M+Na-2H]- 217.06462 149.2
[M]+ 196.08940 145.0
[M]- 196.09050 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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