CID 67727

1h,1h,2h-heptafluoropent-1-ene

Structural Information

Molecular Formula
C5H3F7
SMILES
C=CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H3F7/c1-2-3(6,7)4(8,9)5(10,11)12/h2H,1H2
InChIKey
LQAPOTKKMIZDGP-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoropent-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1304
Patents

196.0123 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01958 166.8
[M+Na]+ 219.00152 169.8
[M+NH4]+ 214.04612 168.0
[M+K]+ 234.97546 166.2
[M-H]- 195.00502 158.3
[M+Na-2H]- 216.98697 165.1
[M]+ 196.01175 164.5
[M]- 196.01285 164.5
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