CID 14419501

2-fluorooctanoic acid

Structural Information

Molecular Formula
C8H15FO2
SMILES
CCCCCCC(C(=O)O)F
InChI
InChI=1S/C8H15FO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
SASJUHYALINSSV-UHFFFAOYSA-N
Compound name
2-fluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

162.1056 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11288 136.5
[M+Na]+ 185.09482 142.4
[M-H]- 161.09832 133.8
[M+NH4]+ 180.13942 156.5
[M+K]+ 201.06876 141.5
[M+H-H2O]+ 145.10286 131.0
[M+HCOO]- 207.10380 155.8
[M+CH3COO]- 221.11945 178.0
[M+Na-2H]- 183.08027 138.9
[M]+ 162.10505 136.3
[M]- 162.10615 136.3
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