CID 71429349

5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene

Structural Information

Molecular Formula
C9H8F8
SMILES
CC(=CC=C(C(C(C(F)(F)F)(F)F)(F)F)F)C
InChI
InChI=1S/C9H8F8/c1-5(2)3-4-6(10)7(11,12)8(13,14)9(15,16)17/h3-4H,1-2H3
InChIKey
ZSBHSCZBWXUBAW-UHFFFAOYSA-N
Compound name
5,6,6,7,7,8,8,8-octafluoro-2-methylocta-2,4-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.04984 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05712 148.9
[M+Na]+ 291.03906 156.9
[M-H]- 267.04256 139.3
[M+NH4]+ 286.08366 165.0
[M+K]+ 307.01300 153.7
[M+H-H2O]+ 251.04710 138.7
[M+HCOO]- 313.04804 157.0
[M+CH3COO]- 327.06369 198.3
[M+Na-2H]- 289.02451 149.6
[M]+ 268.04929 136.0
[M]- 268.05039 136.0
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

No patent data available for this compound.