CID 139596390

12:2 fluorotelomer aldehyde

Structural Information

Molecular Formula
C14H3F25O
SMILES
C(C=O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H3F25O/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h2H,1H2
InChIKey
OFHYKJHONPWSJU-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

661.97845 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.98573 189.8
[M+Na]+ 684.96767 193.7
[M-H]- 660.97117 200.2
[M+NH4]+ 680.01227 201.6
[M+K]+ 700.94161 207.2
[M+H-H2O]+ 644.97571 176.8
[M+HCOO]- 706.97665 208.6
[M+CH3COO]- 720.99230 258.7
[M+Na-2H]- 682.95312 191.4
[M]+ 661.97790 188.4
[M]- 661.97900 188.4
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.