CID 9736

6-fluorohexanoic acid

Structural Information

Molecular Formula
C6H11FO2
SMILES
C(CCC(=O)O)CCF
InChI
InChI=1S/C6H11FO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKey
QDVPGZOKFHEOIW-UHFFFAOYSA-N
Compound name
6-fluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

134.07431 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08159 126.8
[M+Na]+ 157.06353 133.7
[M-H]- 133.06703 124.3
[M+NH4]+ 152.10813 148.0
[M+K]+ 173.03747 132.9
[M+H-H2O]+ 117.07157 121.6
[M+HCOO]- 179.07251 147.7
[M+CH3COO]- 193.08816 171.1
[M+Na-2H]- 155.04898 131.6
[M]+ 134.07376 126.5
[M]- 134.07486 126.5
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