CID 18960237

2-fluoroheptanoic acid

Structural Information

Molecular Formula
C7H13FO2
SMILES
CCCCCC(C(=O)O)F
InChI
InChI=1S/C7H13FO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
SZKQQZKIGFBZHS-UHFFFAOYSA-N
Compound name
2-fluoroheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

148.08995 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09723 131.8
[M+Na]+ 171.07917 138.1
[M-H]- 147.08267 129.3
[M+NH4]+ 166.12377 152.4
[M+K]+ 187.05311 137.5
[M+H-H2O]+ 131.08721 126.5
[M+HCOO]- 193.08815 151.4
[M+CH3COO]- 207.10380 174.9
[M+Na-2H]- 169.06462 134.8
[M]+ 148.08940 131.3
[M]- 148.09050 131.3
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