CID 13492589

2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene

Structural Information

Molecular Formula
C11F14
SMILES
C12=C(C(=C(C(=C1F)F)F)F)C(C2(C(C(F)(F)F)(C(F)(F)F)F)F)(F)F
InChI
InChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,18)7(1,16)9(19,10(20,21)22)11(23,24)25
InChIKey
QTYGPRCHPTTYIL-UHFFFAOYSA-N
Compound name
2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

397.97763 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.98491 185.4
[M+Na]+ 420.96685 200.5
[M-H]- 396.97035 176.2
[M+NH4]+ 416.01145 196.0
[M+K]+ 436.94079 196.4
[M+H-H2O]+ 380.97489 168.6
[M+HCOO]- 442.97583 187.7
[M+CH3COO]- 456.99148 225.3
[M+Na-2H]- 418.95230 184.7
[M]+ 397.97708 176.5
[M]- 397.97818 176.5
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.