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
2
Annotation Hits

0
References

1176
Patents

181.99664 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00392 125.7
[M+Na]+ 204.98586 135.2
[M-H]- 180.98936 117.7
[M+NH4]+ 200.03046 145.4
[M+K]+ 220.95980 133.3
[M+H-H2O]+ 164.99390 116.5
[M+HCOO]- 226.99484 138.7
[M+CH3COO]- 241.01049 180.2
[M+Na-2H]- 202.97131 129.8
[M]+ 181.99609 114.3
[M]- 181.99719 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