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]+ 446.98720 156.9
[M+Na]+ 468.96914 163.3
[M-H]- 444.97264 164.2
[M+NH4]+ 464.01374 166.1
[M+K]+ 484.94308 169.7
[M+H-H2O]+ 428.97718 165.2
[M+HCOO]- 490.97812 173.1
[M+CH3COO]- 504.99377 226.8
[M+Na-2H]- 466.95459 156.9
[M]+ 445.97937 154.4
[M]- 445.98047 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.