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

247
Patents

139.06088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.068156 117.9
[M+Na]+ 162.050098 126.7
[M-H]- 138.053604 118.4
[M+NH4]+ 157.094703 134.1
[M+K]+ 178.024038 124.6
[M+H-H2O]+ 122.058140 110.1
[M+HCOO]- 184.059081 137.3
[M+CH3COO]- 198.074731 179.0
[M+Na-2H]- 160.035546 123.4
[M]+ 139.06033142 113.6
[M]- 139.06142858 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