CID 138396287

1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene

Structural Information

Molecular Formula
C8H3F13
SMILES
C(C=C(C(C(C(F)(F)F)(F)F)(F)F)F)C(C(F)(F)F)(F)F
InChI
InChI=1S/C8H3F13/c9-3(1-2-4(10,11)7(16,17)18)5(12,13)6(14,15)8(19,20)21/h1H,2H2
InChIKey
IGVITSLVCFQODG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,7,7,8,8,8-tridecafluorooct-4-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

346.00272 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.01000 162.3
[M+Na]+ 368.99194 171.6
[M-H]- 344.99544 148.0
[M+NH4]+ 364.03654 174.6
[M+K]+ 384.96588 167.8
[M+H-H2O]+ 328.99998 148.8
[M+HCOO]- 391.00092 163.3
[M+CH3COO]- 405.01657 211.7
[M+Na-2H]- 366.97739 163.4
[M]+ 346.00217 141.7
[M]- 346.00327 141.7
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.