CID 2736240

5-bromo-4-chloro-4,5,5-trifluoropentan-1-ol

Structural Information

Molecular Formula
C5H7BrClF3O
SMILES
C(CC(C(F)(F)Br)(F)Cl)CO
InChI
InChI=1S/C5H7BrClF3O/c6-5(9,10)4(7,8)2-1-3-11/h11H,1-3H2
InChIKey
YTPPNYJNPZSDFJ-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-4,5,5-trifluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.93208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.93936 145.0
[M+Na]+ 276.92130 157.5
[M-H]- 252.92480 143.4
[M+NH4]+ 271.96590 165.9
[M+K]+ 292.89524 144.3
[M+H-H2O]+ 236.92934 145.1
[M+HCOO]- 298.93028 155.1
[M+CH3COO]- 312.94593 186.8
[M+Na-2H]- 274.90675 151.9
[M]+ 253.93153 160.7
[M]- 253.93263 160.7
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.