CID 67640

Octafluoroadipic acid

Structural Information

Molecular Formula
C6H2F8O4
SMILES
C(=O)(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6H2F8O4/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18/h(H,15,16)(H,17,18)
InChIKey
AXRSOGFYDSXLQX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluorohexanedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1223
Patents

289.98254 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.98982 144.9
[M+Na]+ 312.97176 153.1
[M-H]- 288.97526 133.1
[M+NH4]+ 308.01636 158.2
[M+K]+ 328.94570 151.5
[M+H-H2O]+ 272.97980 135.7
[M+HCOO]- 334.98074 150.4
[M+CH3COO]- 348.99639 194.7
[M+Na-2H]- 310.95721 148.3
[M]+ 289.98199 132.4
[M]- 289.98309 132.4
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.