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

1152
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

literature stripe

Patent stripe

patents stripe