CID 165909635

1-bromo-3,3,4,4-tetrafluoropentane

Structural Information

Molecular Formula
C5H7BrF4
SMILES
CC(C(CCBr)(F)F)(F)F
InChI
InChI=1S/C5H7BrF4/c1-4(7,8)5(9,10)2-3-6/h2-3H2,1H3
InChIKey
SUSBIYPQBOQXBO-UHFFFAOYSA-N
Compound name
1-bromo-3,3,4,4-tetrafluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.96674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.974016 141.7
[M+Na]+ 244.955958 153.8
[M-H]- 220.959464 140.2
[M+NH4]+ 240.000563 163.6
[M+K]+ 260.929898 143.0
[M+H-H2O]+ 204.964000 140.2
[M+HCOO]- 266.964941 156.2
[M+CH3COO]- 280.980591 186.7
[M+Na-2H]- 242.941406 148.5
[M]+ 221.96619142 154.8
[M]- 221.96728858 154.8
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.