CID 25916728

2-(3-fluorophenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC(C)(C1=CC(=CC=C1)F)C(=O)O
InChI
InChI=1S/C10H11FO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13)
InChIKey
SVKJEUSESWZLJH-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

182.07431 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.081586 136.0
[M+Na]+ 205.063528 144.1
[M-H]- 181.067034 137.4
[M+NH4]+ 200.108133 155.5
[M+K]+ 221.037468 142.0
[M+H-H2O]+ 165.071570 130.4
[M+HCOO]- 227.072511 155.9
[M+CH3COO]- 241.088161 179.8
[M+Na-2H]- 203.048976 141.5
[M]+ 182.07376142 134.8
[M]- 182.07485858 134.8
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