CID 13706726

2-fluoro-2-methylhexanoic acid

Structural Information

Molecular Formula
C7H13FO2
SMILES
CCCCC(C)(C(=O)O)F
InChI
InChI=1S/C7H13FO2/c1-3-4-5-7(2,8)6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKey
MUUUOAHALCQUQV-UHFFFAOYSA-N
Compound name
2-fluoro-2-methylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 131.0
[M+Na]+ 171.07917 137.9
[M-H]- 147.08267 128.7
[M+NH4]+ 166.12377 151.8
[M+K]+ 187.05311 137.3
[M+H-H2O]+ 131.08721 126.3
[M+HCOO]- 193.08815 150.1
[M+CH3COO]- 207.10380 174.4
[M+Na-2H]- 169.06462 135.9
[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