CID 6434

76-21-1

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

82
References

221
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 156.5
[M+Na]+ 468.969138 162.9
[M-H]- 444.972644 163.7
[M+NH4]+ 464.013743 165.7
[M+K]+ 484.943078 169.4
[M+H-H2O]+ 428.977180 147.9
[M+HCOO]- 490.978121 172.7
[M+CH3COO]- 504.993771 227.4
[M+Na-2H]- 466.954586 156.5
[M]+ 445.97937142 154.1
[M]- 445.98046858 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe