CID 139597521

Dtxsid901352207

Structural Information

Molecular Formula
C8H4F12O2
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)C(=O)O
InChI
InChI=1S/C8H4F12O2/c9-2(1-3(21)22)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h2H,1H2,(H,21,22)
InChIKey
VRDYFGAPTXONQX-UHFFFAOYSA-N
Compound name
3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.00195 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.009226 162.4
[M+Na]+ 382.991168 170.8
[M-H]- 358.994674 147.8
[M+NH4]+ 378.035773 153.4
[M+K]+ 398.965108 168.1
[M+H-H2O]+ 342.999210 150.0
[M+HCOO]- 405.000151 163.0
[M+CH3COO]- 419.015801 211.8
[M+Na-2H]- 380.976616 163.5
[M]+ 360.00140142 143.7
[M]- 360.00249858 143.7
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.