CID 62739364

1267669-89-5

Structural Information

Molecular Formula
C11H13FO2
SMILES
CC(C)(CC1=CC(=CC=C1)F)C(=O)O
InChI
InChI=1S/C11H13FO2/c1-11(2,10(13)14)7-8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKey
TXNCWQHEDGNFOG-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.08995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09723 140.8
[M+Na]+ 219.07917 148.4
[M-H]- 195.08267 142.0
[M+NH4]+ 214.12377 159.7
[M+K]+ 235.05311 146.0
[M+H-H2O]+ 179.08721 134.9
[M+HCOO]- 241.08815 160.3
[M+CH3COO]- 255.10380 182.9
[M+Na-2H]- 217.06462 145.7
[M]+ 196.08940 139.9
[M]- 196.09050 139.9
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.