CID 23290254

5-fluorohexanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

134.07431 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.081586 127.1
[M+Na]+ 157.063528 133.8
[M-H]- 133.067034 124.7
[M+NH4]+ 152.108133 148.2
[M+K]+ 173.037468 133.5
[M+H-H2O]+ 117.071570 122.0
[M+HCOO]- 179.072511 147.1
[M+CH3COO]- 193.088161 171.9
[M+Na-2H]- 155.048976 130.6
[M]+ 134.07376142 126.2
[M]- 134.07485858 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