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
3
Annotation Hits

0
References

1534
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 130.2
[M+Na]+ 219.00152 139.7
[M-H]- 195.00502 122.3
[M+NH4]+ 214.04612 149.2
[M+K]+ 234.97546 137.6
[M+H-H2O]+ 179.00956 121.3
[M+HCOO]- 241.01050 142.3
[M+CH3COO]- 255.02615 184.3
[M+Na-2H]- 216.98697 135.8
[M]+ 196.01175 119.3
[M]- 196.01285 119.3
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