CID 21072481

1160756-75-1

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CC1C(C(F)(F)F)N
InChI
InChI=1S/C5H8F3N/c6-5(7,8)4(9)3-1-2-3/h3-4H,1-2,9H2
InChIKey
DMWCDCMZMZULIE-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

139.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 117.9
[M+Na]+ 162.05010 126.7
[M-H]- 138.05360 118.4
[M+NH4]+ 157.09470 134.1
[M+K]+ 178.02404 124.6
[M+H-H2O]+ 122.05814 110.1
[M+HCOO]- 184.05908 137.3
[M+CH3COO]- 198.07473 179.0
[M+Na-2H]- 160.03555 123.4
[M]+ 139.06033 113.6
[M]- 139.06143 113.6
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