CID 5132971

1,2,4,5-tetrafluoro-3-(heptafluoropropyl)benzene

Structural Information

Molecular Formula
C9HF11
SMILES
C1=C(C(=C(C(=C1F)F)C(C(C(F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C9HF11/c10-2-1-3(11)6(13)4(5(2)12)7(14,15)8(16,17)9(18,19)20/h1H
InChIKey
RUCXHAOMVXFEPD-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

317.99026 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.99754 156.0
[M+Na]+ 340.97948 168.8
[M-H]- 316.98298 147.5
[M+NH4]+ 336.02408 170.5
[M+K]+ 356.95342 163.6
[M+H-H2O]+ 300.98752 142.6
[M+HCOO]- 362.98846 163.6
[M+CH3COO]- 377.00411 208.7
[M+Na-2H]- 338.96493 156.7
[M]+ 317.98971 141.0
[M]- 317.99081 141.0
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.