CID 67737

1-heptene, 1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoro-

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

882
Patents

349.97763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.98491 159.6
[M+Na]+ 372.96685 169.1
[M-H]- 348.97035 144.6
[M+NH4]+ 368.01145 171.4
[M+K]+ 388.94079 165.6
[M+H-H2O]+ 332.97489 145.6
[M+HCOO]- 394.97583 159.1
[M+CH3COO]- 408.99148 213.1
[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

literature stripe

Patent stripe

patents stripe