CID 121208211

3-(bromomethyl)-1,1,1-trifluoropentane

Structural Information

Molecular Formula
C6H10BrF3
SMILES
CCC(CC(F)(F)F)CBr
InChI
InChI=1S/C6H10BrF3/c1-2-5(4-7)3-6(8,9)10/h5H,2-4H2,1H3
InChIKey
KTLFCSMILQMXSX-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,1,1-trifluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.9918 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99908 142.5
[M+Na]+ 240.98102 153.6
[M-H]- 216.98452 142.0
[M+NH4]+ 236.02562 164.6
[M+K]+ 256.95496 143.0
[M+H-H2O]+ 200.98906 141.3
[M+HCOO]- 262.99000 158.3
[M+CH3COO]- 277.00565 186.5
[M+Na-2H]- 238.96647 147.8
[M]+ 217.99125 157.2
[M]- 217.99235 157.2
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.