CID 9990

10-fluoro-3-methyldecanoic acid

Structural Information

Molecular Formula
C11H21FO2
SMILES
CC(CCCCCCCF)CC(=O)O
InChI
InChI=1S/C11H21FO2/c1-10(9-11(13)14)7-5-3-2-4-6-8-12/h10H,2-9H2,1H3,(H,13,14)
InChIKey
QBGJZSNLHMFQLZ-UHFFFAOYSA-N
Compound name
10-fluoro-3-methyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15256 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15984 150.6
[M+Na]+ 227.14178 155.1
[M-H]- 203.14528 147.2
[M+NH4]+ 222.18638 168.9
[M+K]+ 243.11572 153.5
[M+H-H2O]+ 187.14982 144.4
[M+HCOO]- 249.15076 168.8
[M+CH3COO]- 263.16641 187.0
[M+Na-2H]- 225.12723 151.3
[M]+ 204.15201 151.5
[M]- 204.15311 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.