CID 55299634

2-fluoro-5-methylhexanoic acid

Structural Information

Molecular Formula
C7H13FO2
SMILES
CC(C)CCC(C(=O)O)F
InChI
InChI=1S/C7H13FO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKey
ODIHSKPVAUZUKP-UHFFFAOYSA-N
Compound name
2-fluoro-5-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

148.08995 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09723 131.9
[M+Na]+ 171.07917 137.9
[M-H]- 147.08267 129.4
[M+NH4]+ 166.12377 152.4
[M+K]+ 187.05311 137.8
[M+H-H2O]+ 131.08721 126.7
[M+HCOO]- 193.08815 150.5
[M+CH3COO]- 207.10380 175.9
[M+Na-2H]- 169.06462 133.5
[M]+ 148.08940 130.6
[M]- 148.09050 130.6
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