CID 79512438

2-fluoro-6-(propan-2-yloxy)benzoic acid

Structural Information

Molecular Formula
C10H11FO3
SMILES
CC(C)OC1=C(C(=CC=C1)F)C(=O)O
InChI
InChI=1S/C10H11FO3/c1-6(2)14-8-5-3-4-7(11)9(8)10(12)13/h3-6H,1-2H3,(H,12,13)
InChIKey
KHMWBBKORQRKHW-UHFFFAOYSA-N
Compound name
2-fluoro-6-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 138.9
[M+Na]+ 221.05845 147.1
[M-H]- 197.06195 140.4
[M+NH4]+ 216.10305 157.8
[M+K]+ 237.03239 145.6
[M+H-H2O]+ 181.06649 132.7
[M+HCOO]- 243.06743 159.5
[M+CH3COO]- 257.08308 183.7
[M+Na-2H]- 219.04390 141.7
[M]+ 198.06868 139.3
[M]- 198.06978 139.3
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.