CID 550456

79272-26-7

Structural Information

Molecular Formula
C8H3F13
SMILES
C=CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H3F13/c1-2-3(6(13,14)15,7(16,17)18)4(9,10)5(11,12)8(19,20)21/h2H,1H2
InChIKey
RUVAVKKRUIZRRS-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

346.00272 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.01000 163.1
[M+Na]+ 368.99194 172.9
[M-H]- 344.99544 149.3
[M+NH4]+ 364.03654 175.4
[M+K]+ 384.96588 169.2
[M+H-H2O]+ 328.99998 150.1
[M+HCOO]- 391.00092 163.5
[M+CH3COO]- 405.01657 211.7
[M+Na-2H]- 366.97739 166.4
[M]+ 346.00217 142.3
[M]- 346.00327 142.3
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