CID 61109

Perfluoroisobutylene

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

32
References

2815
Patents

199.98723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.994506 128.1
[M+Na]+ 222.976448 137.3
[M-H]- 198.979954 118.9
[M+NH4]+ 218.021053 146.8
[M+K]+ 238.950388 135.5
[M+H-H2O]+ 182.984490 118.0
[M+HCOO]- 244.985431 139.1
[M+CH3COO]- 259.001081 184.1
[M+Na-2H]- 220.961896 130.4
[M]+ 199.98668142 114.7
[M]- 199.98777858 114.7
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