CID 120227

2,2,3,3,4,4,5,5-octafluorovaleric acid

Structural Information

Molecular Formula
C5H2F8O2
SMILES
C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)
InChIKey
VGFKXVSMDOKOJZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

176
Patents

245.9927 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99998 137.8
[M+Na]+ 268.98192 146.3
[M-H]- 244.98542 127.2
[M+NH4]+ 264.02652 153.6
[M+K]+ 284.95586 144.7
[M+H-H2O]+ 228.98996 128.0
[M+HCOO]- 290.99090 145.9
[M+CH3COO]- 305.00655 190.7
[M+Na-2H]- 266.96737 140.3
[M]+ 245.99215 125.2
[M]- 245.99325 125.2
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