CID 139596906

Mhpflca n=6

Structural Information

Molecular Formula
C14H14F14O2
SMILES
C(C(F)F)C(CC(CC(CC(CC(CC(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H14F14O2/c15-7(16)1-9(17,18)2-10(19,20)3-11(21,22)4-12(23,24)5-13(25,26)6-14(27,28)8(29)30/h7H,1-6H2,(H,29,30)
InChIKey
RFPMTAFFMFIXAL-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

480.07703 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.08431 172.1
[M+Na]+ 503.06625 178.0
[M-H]- 479.06975 175.8
[M+NH4]+ 498.11085 179.8
[M+K]+ 519.04019 184.5
[M+H-H2O]+ 463.07429 164.0
[M+HCOO]- 525.07523 186.2
[M+CH3COO]- 539.09088 234.6
[M+Na-2H]- 501.05170 169.0
[M]+ 480.07648 169.1
[M]- 480.07758 169.1
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.