CID 13750142

2,3,3,4,4,5,5-heptafluoro-1-pentene

Structural Information

Molecular Formula
C5H3F7
SMILES
C=C(C(C(C(F)F)(F)F)(F)F)F
InChI
InChI=1S/C5H3F7/c1-2(6)4(9,10)5(11,12)3(7)8/h3H,1H2
InChIKey
ZHKVUSSHABANQG-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5-heptafluoropent-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

973
Patents

196.0123 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01958 129.4
[M+Na]+ 219.00152 138.0
[M-H]- 195.00502 121.2
[M+NH4]+ 214.04612 148.2
[M+K]+ 234.97546 136.3
[M+H-H2O]+ 179.00956 120.1
[M+HCOO]- 241.01050 141.1
[M+CH3COO]- 255.02615 186.0
[M+Na-2H]- 216.98697 131.9
[M]+ 196.01175 118.0
[M]- 196.01285 118.0
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