CID 139597589

Mhpflca n=7

Structural Information

Molecular Formula
C16H16F16O2
SMILES
C(C(F)F)C(CC(CC(CC(CC(CC(CC(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H16F16O2/c17-8(18)1-10(19,20)2-11(21,22)3-12(23,24)4-13(25,26)5-14(27,28)6-15(29,30)7-16(31,32)9(33)34/h8H,1-7H2,(H,33,34)
InChIKey
WDCWBOTVVLGAOL-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecafluorohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

544.0895 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.09678 182.7
[M+Na]+ 567.07872 187.8
[M-H]- 543.08222 187.7
[M+NH4]+ 562.12332 191.5
[M+K]+ 583.05266 196.8
[M+H-H2O]+ 527.08676 173.1
[M+HCOO]- 589.08770 196.2
[M+CH3COO]- 603.10335 245.0
[M+Na-2H]- 565.06417 179.4
[M]+ 544.08895 179.5
[M]- 544.09005 179.5
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.