CID 2776244

2h,2h,3h,3h-perfluorononanoic acid

Structural Information

Molecular Formula
C9H5F13O2
SMILES
C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C9H5F13O2/c10-4(11,2-1-3(23)24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H2,(H,23,24)
InChIKey
AAEJJSZYNKXKSW-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

77
Patents

392.0082 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.01548 171.3
[M+Na]+ 414.99742 179.9
[M-H]- 391.00092 156.0
[M+NH4]+ 410.04202 156.9
[M+K]+ 430.97136 176.7
[M+H-H2O]+ 375.00546 158.3
[M+HCOO]- 437.00640 168.9
[M+CH3COO]- 451.02205 217.3
[M+Na-2H]- 412.98287 173.6
[M]+ 392.00765 151.4
[M]- 392.00875 151.4
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