CID 5708514

1,1,1,2,4,4,4-heptafluoro-2-butene

Structural Information

Molecular Formula
C4HF7
SMILES
C(=C(/C(F)(F)F)\F)\C(F)(F)F
InChI
InChI=1S/C4HF7/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-
InChIKey
YIFLMZOLKQBEBO-UPHRSURJSA-N
Compound name
(Z)-1,1,1,2,4,4,4-heptafluorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

968
Patents

181.99664 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.003916 125.7
[M+Na]+ 204.985858 135.2
[M-H]- 180.989364 117.7
[M+NH4]+ 200.030463 145.4
[M+K]+ 220.959798 133.3
[M+H-H2O]+ 164.993900 116.5
[M+HCOO]- 226.994841 138.7
[M+CH3COO]- 241.010491 180.2
[M+Na-2H]- 202.971306 129.8
[M]+ 181.99609142 114.3
[M]- 181.99718858 114.3
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