CID 67745

1,1,2,3,3,4,4,4-octafluorobut-1-ene

Structural Information

Molecular Formula
C4F8
SMILES
C(=C(F)F)(C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C4F8/c5-1(2(6)7)3(8,9)4(10,11)12
InChIKey
ZVJOQYFQSQJDDX-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4,4,4-octafluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4061
Patents

199.98723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99451 127.9
[M+Na]+ 222.97645 137.1
[M-H]- 198.97995 118.7
[M+NH4]+ 218.02105 146.5
[M+K]+ 238.95039 135.3
[M+H-H2O]+ 182.98449 117.9
[M+HCOO]- 244.98543 138.9
[M+CH3COO]- 259.00108 184.7
[M+Na-2H]- 220.96190 130.3
[M]+ 199.98668 114.6
[M]- 199.98778 114.6
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