CID 83855277

2-fluoro-5,5-dimethylhexanoic acid

Structural Information

Molecular Formula
C8H15FO2
SMILES
CC(C)(C)CCC(C(=O)O)F
InChI
InChI=1S/C8H15FO2/c1-8(2,3)5-4-6(9)7(10)11/h6H,4-5H2,1-3H3,(H,10,11)
InChIKey
WZERTGHBTLKIGZ-UHFFFAOYSA-N
Compound name
2-fluoro-5,5-dimethylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.1056 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11288 135.5
[M+Na]+ 185.09482 142.0
[M-H]- 161.09832 133.2
[M+NH4]+ 180.13942 155.8
[M+K]+ 201.06876 141.6
[M+H-H2O]+ 145.10286 130.8
[M+HCOO]- 207.10380 153.3
[M+CH3COO]- 221.11945 177.6
[M+Na-2H]- 183.08027 138.7
[M]+ 162.10505 134.8
[M]- 162.10615 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

No patent data available for this compound.