CID 11647677

1h-perfluoro-1-heptene

Structural Information

Molecular Formula
C7HF13
SMILES
C(=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C7HF13/c8-1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H
InChIKey
RYSDCNCCQRHRHH-UHFFFAOYSA-N
Compound name
1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluorohept-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

331.98706 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.99434 157.6
[M+Na]+ 354.97628 167.1
[M-H]- 330.97978 143.4
[M+NH4]+ 350.02088 170.2
[M+K]+ 370.95022 163.6
[M+H-H2O]+ 314.98432 144.2
[M+HCOO]- 376.98526 158.8
[M+CH3COO]- 391.00091 209.5
[M+Na-2H]- 352.96173 159.2
[M]+ 331.98651 136.6
[M]- 331.98761 136.6
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