CID 14467770

2-fluorononanoic acid

Structural Information

Molecular Formula
C9H17FO2
SMILES
CCCCCCCC(C(=O)O)F
InChI
InChI=1S/C9H17FO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKey
JJHYTNHLGZWBQE-UHFFFAOYSA-N
Compound name
2-fluorononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

176.12126 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12854 141.2
[M+Na]+ 199.11048 146.6
[M-H]- 175.11398 138.3
[M+NH4]+ 194.15508 160.7
[M+K]+ 215.08442 145.5
[M+H-H2O]+ 159.11852 135.5
[M+HCOO]- 221.11946 160.2
[M+CH3COO]- 235.13511 181.0
[M+Na-2H]- 197.09593 143.0
[M]+ 176.12071 141.4
[M]- 176.12181 141.4
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