CID 6433289

1648-46-0

Structural Information

Molecular Formula
C12H21FO2
SMILES
C(CCCC/C=C/C(=O)O)CCCCF
InChI
InChI=1S/C12H21FO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h8,10H,1-7,9,11H2,(H,14,15)/b10-8+
InChIKey
DSJDWIWRFLCOSK-CSKARUKUSA-N
Compound name
(E)-12-fluorododec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15256 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15984 153.2
[M+Na]+ 239.14178 157.9
[M-H]- 215.14528 149.6
[M+NH4]+ 234.18638 171.1
[M+K]+ 255.11572 155.0
[M+H-H2O]+ 199.14982 146.9
[M+HCOO]- 261.15076 172.3
[M+CH3COO]- 275.16641 187.6
[M+Na-2H]- 237.12723 154.7
[M]+ 216.15201 154.4
[M]- 216.15311 154.4
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.