CID 138396418

Dtxsid40896444

Structural Information

Molecular Formula
C11F12O2
SMILES
C12=C(C(=C(C(=C1F)F)F)F)C(OC2=O)(C(C(F)(F)F)(C(F)(F)F)F)F
InChI
InChI=1S/C11F12O2/c12-3-1-2(4(13)6(15)5(3)14)8(16,25-7(1)24)9(17,10(18,19)20)11(21,22)23
InChIKey
CMFLJSVAFTYJOM-UHFFFAOYSA-N
Compound name
3,4,5,6,7-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

391.97067 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.97795 171.5
[M+Na]+ 414.95989 186.7
[M-H]- 390.96339 164.1
[M+NH4]+ 410.00449 186.8
[M+K]+ 430.93383 182.0
[M+H-H2O]+ 374.96793 159.5
[M+HCOO]- 436.96887 176.5
[M+CH3COO]- 450.98452 219.3
[M+Na-2H]- 412.94534 172.6
[M]+ 391.97012 158.2
[M]- 391.97122 158.2
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.