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

217
Patents

217.9918 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.999076 142.1
[M+Na]+ 240.981018 153.4
[M-H]- 216.984524 141.5
[M+NH4]+ 236.025623 164.3
[M+K]+ 256.954958 142.5
[M+H-H2O]+ 200.989060 140.8
[M+HCOO]- 262.990001 158.8
[M+CH3COO]- 277.005651 185.8
[M+Na-2H]- 238.966466 148.5
[M]+ 217.99125142 157.4
[M]- 217.99234858 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