CID 139594631

2h-perfluorononanoic acid

Structural Information

Molecular Formula
C9H2F16O2
SMILES
C(C(=O)O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H2F16O2/c10-1(2(26)27)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h1H,(H,26,27)
InChIKey
CVAZURDPUJIKIQ-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluorononanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

445.97992 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.987196 156.9
[M+Na]+ 468.969138 163.3
[M-H]- 444.972644 164.2
[M+NH4]+ 464.013743 166.1
[M+K]+ 484.943078 169.7
[M+H-H2O]+ 428.977180 165.2
[M+HCOO]- 490.978121 173.1
[M+CH3COO]- 504.993771 226.8
[M+Na-2H]- 466.954586 156.9
[M]+ 445.97937142 154.4
[M]- 445.98046858 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.