CID 71652079

6-bromo-1,1,1,2,2-pentafluorohexane

Structural Information

Molecular Formula
C6H8BrF5
SMILES
C(CCBr)CC(C(F)(F)F)(F)F
InChI
InChI=1S/C6H8BrF5/c7-4-2-1-3-5(8,9)6(10,11)12/h1-4H2
InChIKey
PKODYBTZVIUBQS-UHFFFAOYSA-N
Compound name
6-bromo-1,1,1,2,2-pentafluorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

253.97295 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.98023 150.5
[M+Na]+ 276.96217 162.2
[M-H]- 252.96567 147.6
[M+NH4]+ 272.00677 171.1
[M+K]+ 292.93611 150.8
[M+H-H2O]+ 236.97021 147.8
[M+HCOO]- 298.97115 163.7
[M+CH3COO]- 312.98680 191.6
[M+Na-2H]- 274.94762 156.0
[M]+ 253.97240 162.5
[M]- 253.97350 162.5
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

patents stripe