CID 9773

2,2,2-trifluoroethylamine

Structural Information

Molecular Formula
C2H4F3N
SMILES
C(C(F)(F)F)N
InChI
InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2
InChIKey
KIPSRYDSZQRPEA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

28
References

16901
Patents

99.02959 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.03687 112.0
[M+Na]+ 122.01881 120.5
[M-H]- 98.022314 108.5
[M+NH4]+ 117.06341 134.8
[M+K]+ 137.99275 120.1
[M+H-H2O]+ 82.026850 105.8
[M+HCOO]- 144.02779 132.7
[M+CH3COO]- 158.04344 167.1
[M+Na-2H]- 120.00426 119.2
[M]+ 99.029041 105.5
[M]- 99.030139 105.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe