CID 98165

2-fluorohexanoic acid

Structural Information

Molecular Formula
C6H11FO2
SMILES
CCCCC(C(=O)O)F
InChI
InChI=1S/C6H11FO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKey
CDWPBSAPAJJTHA-UHFFFAOYSA-N
Compound name
2-fluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

134.07431 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08159 127.1
[M+Na]+ 157.06353 133.8
[M-H]- 133.06703 124.7
[M+NH4]+ 152.10813 148.2
[M+K]+ 173.03747 133.5
[M+H-H2O]+ 117.07157 122.0
[M+HCOO]- 179.07251 147.1
[M+CH3COO]- 193.08816 171.9
[M+Na-2H]- 155.04898 130.6
[M]+ 134.07376 126.2
[M]- 134.07486 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe