CID 2778718

Dtxsid30895284

Structural Information

Molecular Formula
C7F14
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C7F14/c8-1(2(9)4(12,13)14)3(10,11)5(15,16)6(17,18)7(19,20)21/b2-1+
InChIKey
UGHJWZHBCXGSAY-OWOJBTEDSA-N
Compound name
(E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-tetradecafluorohept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

552
Patents

349.97763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.98491 159.7
[M+Na]+ 372.96685 169.2
[M-H]- 348.97035 144.7
[M+NH4]+ 368.01145 171.6
[M+K]+ 388.94079 165.8
[M+H-H2O]+ 332.97489 145.7
[M+HCOO]- 394.97583 159.2
[M+CH3COO]- 408.99148 212.5
[M+Na-2H]- 370.95230 159.7
[M]+ 349.97708 136.7
[M]- 349.97818 136.7
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

patents stripe