CID 13845471

6-bromo-1,1,1-trifluorohexane

Structural Information

Molecular Formula
C6H10BrF3
SMILES
C(CCC(F)(F)F)CCBr
InChI
InChI=1S/C6H10BrF3/c7-5-3-1-2-4-6(8,9)10/h1-5H2
InChIKey
CNJBUMYNBDASSP-UHFFFAOYSA-N
Compound name
6-bromo-1,1,1-trifluorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

217.9918 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99908 142.1
[M+Na]+ 240.98102 153.4
[M-H]- 216.98452 141.5
[M+NH4]+ 236.02562 164.3
[M+K]+ 256.95496 142.5
[M+H-H2O]+ 200.98906 140.8
[M+HCOO]- 262.99000 158.8
[M+CH3COO]- 277.00565 185.8
[M+Na-2H]- 238.96647 148.5
[M]+ 217.99125 157.4
[M]- 217.99235 157.4
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