CID 2769651

5-chlorooctafluoropentanoic acid

Structural Information

Molecular Formula
C5HClF8O2
SMILES
C(=O)(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5HClF8O2/c6-5(13,14)4(11,12)3(9,10)2(7,8)1(15)16/h(H,15,16)
InChIKey
VQKMJXAMQVPHHB-UHFFFAOYSA-N
Compound name
5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

279.95374 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.96102 139.9
[M+Na]+ 302.94296 149.8
[M-H]- 278.94646 129.9
[M+NH4]+ 297.98756 155.5
[M+K]+ 318.91690 146.1
[M+H-H2O]+ 262.95100 131.4
[M+HCOO]- 324.95194 143.4
[M+CH3COO]- 338.96759 194.2
[M+Na-2H]- 300.92841 144.7
[M]+ 279.95319 129.5
[M]- 279.95429 129.5
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