CID 2774880

680-54-6

Structural Information

Molecular Formula
C4HF7
SMILES
C(C(C(=C(F)F)F)(F)F)(F)F
InChI
InChI=1S/C4HF7/c5-1(2(6)7)4(10,11)3(8)9/h3H
InChIKey
NUPBXTZOBYEVIR-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4,4-heptafluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1733
Patents

181.99664 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.003916 125.4
[M+Na]+ 204.985858 133.8
[M-H]- 180.989364 117.1
[M+NH4]+ 200.030463 144.7
[M+K]+ 220.959798 132.4
[M+H-H2O]+ 164.993900 115.7
[M+HCOO]- 226.994841 138.0
[M+CH3COO]- 241.010491 182.8
[M+Na-2H]- 202.971306 126.4
[M]+ 181.99609142 113.6
[M]- 181.99718858 113.6
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