CID 9534

7-fluoroheptanoic acid

Structural Information

Molecular Formula
C7H13FO2
SMILES
C(CCCF)CCC(=O)O
InChI
InChI=1S/C7H13FO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
InChIKey
HCWNGLSFAHYVNL-UHFFFAOYSA-N
Compound name
7-fluoroheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

148.08995 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09723 131.5
[M+Na]+ 171.07917 137.9
[M-H]- 147.08267 128.8
[M+NH4]+ 166.12377 152.1
[M+K]+ 187.05311 136.9
[M+H-H2O]+ 131.08721 126.1
[M+HCOO]- 193.08815 152.1
[M+CH3COO]- 207.10380 174.1
[M+Na-2H]- 169.06462 135.7
[M]+ 148.08940 131.6
[M]- 148.09050 131.6
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