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]+ 222.97402 141.7
[M+Na]+ 244.95596 153.8
[M-H]- 220.95946 140.2
[M+NH4]+ 240.00056 163.6
[M+K]+ 260.92990 143.0
[M+H-H2O]+ 204.96400 140.2
[M+HCOO]- 266.96494 156.2
[M+CH3COO]- 280.98059 186.7
[M+Na-2H]- 242.94141 148.5
[M]+ 221.96619 154.8
[M]- 221.96729 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.