CID 61607958

(3-bromopropyl)(ethyl)(2,2,2-trifluoroethyl)amine hydrobromide

Structural Information

Molecular Formula
C7H13BrF3N
SMILES
CCN(CCCBr)CC(F)(F)F
InChI
InChI=1S/C7H13BrF3N/c1-2-12(5-3-4-8)6-7(9,10)11/h2-6H2,1H3
InChIKey
VSTMIKYZOHFMFG-UHFFFAOYSA-N
Compound name
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.01836 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.02564 156.9
[M+Na]+ 270.00758 155.7
[M+NH4]+ 265.05218 159.3
[M+K]+ 285.98152 155.6
[M-H]- 246.01108 152.1
[M+Na-2H]- 267.99303 155.8
[M]+ 247.01781 154.0
[M]- 247.01891 154.0
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.