CID 25916725

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

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC(C)(C1=CC=CC=C1F)C(=O)O
InChI
InChI=1S/C10H11FO2/c1-10(2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13)
InChIKey
DCCIKELFJWXVFL-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

182.07431 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 136.0
[M+Na]+ 205.06353 144.1
[M-H]- 181.06703 137.4
[M+NH4]+ 200.10813 155.5
[M+K]+ 221.03747 142.0
[M+H-H2O]+ 165.07157 130.4
[M+HCOO]- 227.07251 155.9
[M+CH3COO]- 241.08816 179.8
[M+Na-2H]- 203.04898 141.5
[M]+ 182.07376 134.8
[M]- 182.07486 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