CID 129772214

Dtxsid50896450

Structural Information

Molecular Formula
C11HF11O3
SMILES
C12=C(C(=C(C(=C1F)F)F)F)C(OC2=O)(C(C(F)(F)F)(C(F)(F)F)F)O
InChI
InChI=1S/C11HF11O3/c12-3-1-2(4(13)6(15)5(3)14)8(24,25-7(1)23)9(16,10(17,18)19)11(20,21)22/h24H
InChIKey
MBYFCFZVSBVQKD-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

389.975 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.98228 170.8
[M+Na]+ 412.96422 185.5
[M-H]- 388.96772 163.3
[M+NH4]+ 408.00882 185.7
[M+K]+ 428.93816 181.1
[M+H-H2O]+ 372.97226 160.0
[M+HCOO]- 434.97320 175.7
[M+CH3COO]- 448.98885 216.2
[M+Na-2H]- 410.94967 172.6
[M]+ 389.97445 158.7
[M]- 389.97555 158.7
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

No patent data available for this compound.