CID 18179872

(2-aminoethyl)(2,2,2-trifluoroethyl)amine dihydrochloride

Structural Information

Molecular Formula
C4H9F3N2
SMILES
C(CNCC(F)(F)F)N
InChI
InChI=1S/C4H9F3N2/c5-4(6,7)3-9-2-1-8/h9H,1-3,8H2
InChIKey
RWXZSIHKMLKCDW-UHFFFAOYSA-N
Compound name
N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

142.07178 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07906 124.8
[M+Na]+ 165.06100 131.7
[M-H]- 141.06450 120.8
[M+NH4]+ 160.10560 145.5
[M+K]+ 181.03494 130.6
[M+H-H2O]+ 125.06904 117.6
[M+HCOO]- 187.06998 145.9
[M+CH3COO]- 201.08563 178.0
[M+Na-2H]- 163.04645 131.1
[M]+ 142.07123 118.3
[M]- 142.07233 118.3
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