CID 21732398

Perfluorotetrahydro-2-furancarboxylic acid

Structural Information

Molecular Formula
C5HF7O3
SMILES
C(=O)(C1(C(C(C(O1)(F)F)(F)F)(F)F)F)O
InChI
InChI=1S/C5HF7O3/c6-2(1(13)14)3(7,8)4(9,10)5(11,12)15-2/h(H,13,14)
InChIKey
IJSPOBHLFLGFMQ-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5-heptafluorooxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.98138 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98866 126.2
[M+Na]+ 264.97060 139.6
[M-H]- 240.97410 122.2
[M+NH4]+ 260.01520 151.2
[M+K]+ 280.94454 138.6
[M+H-H2O]+ 224.97864 120.9
[M+HCOO]- 286.97958 140.0
[M+CH3COO]- 300.99523 186.6
[M+Na-2H]- 262.95605 132.1
[M]+ 241.98083 118.9
[M]- 241.98193 118.9
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