CID 60767233

1096786-64-9

Structural Information

Molecular Formula
C10H11FO3
SMILES
CC(C)OC1=C(C=C(C=C1)F)C(=O)O
InChI
InChI=1S/C10H11FO3/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6H,1-2H3,(H,12,13)
InChIKey
YCWZSFGEQXPKKV-UHFFFAOYSA-N
Compound name
5-fluoro-2-propan-2-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06923 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07651 141.9
[M+Na]+ 221.05845 152.7
[M+NH4]+ 216.10305 148.5
[M+K]+ 237.03239 148.3
[M-H]- 197.06195 141.0
[M+Na-2H]- 219.04390 146.2
[M]+ 198.06868 142.9
[M]- 198.06978 142.9
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.