CID 78990

3,3,4,4,4-pentafluorobut-1-ene

Structural Information

Molecular Formula
C4H3F5
SMILES
C=CC(C(F)(F)F)(F)F
InChI
InChI=1S/C4H3F5/c1-2-3(5,6)4(7,8)9/h2H,1H2
InChIKey
IZHPSCJEIFFRLN-UHFFFAOYSA-N
Compound name
3,3,4,4,4-pentafluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2406
Patents

146.01549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02277 120.0
[M+Na]+ 169.00471 129.5
[M-H]- 145.00821 114.5
[M+NH4]+ 164.04931 141.4
[M+K]+ 184.97865 128.0
[M+H-H2O]+ 129.01275 112.7
[M+HCOO]- 191.01369 136.2
[M+CH3COO]- 205.02934 174.7
[M+Na-2H]- 166.99016 126.6
[M]+ 146.01494 112.3
[M]- 146.01604 112.3
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