CID 20085883

1,1,2,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-1-ene

Structural Information

Molecular Formula
C6F12
SMILES
C(=C(F)F)(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F
InChI
InChI=1S/C6F12/c7-1(2(8)9)3(10,11)4(12,5(13,14)15)6(16,17)18
InChIKey
ZJXHFKZMJPKCSL-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

299.98083 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.988106 148.7
[M+Na]+ 322.970048 158.2
[M-H]- 298.973554 135.4
[M+NH4]+ 318.014653 162.8
[M+K]+ 338.943988 155.1
[M+H-H2O]+ 282.978090 135.9
[M+HCOO]- 344.979031 151.8
[M+CH3COO]- 358.994681 203.2
[M+Na-2H]- 320.955496 149.4
[M]+ 299.98028142 128.9
[M]- 299.98137858 128.9
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