CID 2775989

3-(pentafluorophenyl)pentafluoro-1-propene

Structural Information

Molecular Formula
C9F10
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(C(=C(F)F)F)(F)F
InChI
InChI=1S/C9F10/c10-2-1(9(18,19)7(15)8(16)17)3(11)5(13)6(14)4(2)12
InChIKey
WRHBYJDZKRNITP-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

297.98404 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.99132 148.9
[M+Na]+ 320.97326 161.6
[M-H]- 296.97676 141.4
[M+NH4]+ 316.01786 164.4
[M+K]+ 336.94720 156.3
[M+H-H2O]+ 280.98130 135.9
[M+HCOO]- 342.98224 159.1
[M+CH3COO]- 356.99789 206.6
[M+Na-2H]- 318.95871 145.9
[M]+ 297.98349 135.3
[M]- 297.98459 135.3
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