CID 89693074

1447944-29-7

Structural Information

Molecular Formula
C7H13FO2
SMILES
CC(C)(C(=O)O)C(C)(C)F
InChI
InChI=1S/C7H13FO2/c1-6(2,5(9)10)7(3,4)8/h1-4H3,(H,9,10)
InChIKey
FLMCSYBBMPTRIP-UHFFFAOYSA-N
Compound name
3-fluoro-2,2,3-trimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

148.08995 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09723 129.5
[M+Na]+ 171.07917 136.9
[M-H]- 147.08267 127.6
[M+NH4]+ 166.12377 150.4
[M+K]+ 187.05311 136.8
[M+H-H2O]+ 131.08721 125.6
[M+HCOO]- 193.08815 147.1
[M+CH3COO]- 207.10380 174.8
[M+Na-2H]- 169.06462 135.4
[M]+ 148.08940 128.6
[M]- 148.09050 128.6
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