CID 3743706

1,1,1-trifluorobutan-2-amine

Structural Information

Molecular Formula
C4H8F3N
SMILES
CCC(C(F)(F)F)N
InChI
InChI=1S/C4H8F3N/c1-2-3(8)4(5,6)7/h3H,2,8H2,1H3
InChIKey
PKAILYMPWXXBJS-UHFFFAOYSA-N
Compound name
1,1,1-trifluorobutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

390
Patents

127.06088 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.06816 121.7
[M+Na]+ 150.05010 129.2
[M-H]- 126.05360 117.9
[M+NH4]+ 145.09470 143.3
[M+K]+ 166.02404 128.7
[M+H-H2O]+ 110.05814 115.1
[M+HCOO]- 172.05908 140.7
[M+CH3COO]- 186.07473 174.0
[M+Na-2H]- 148.03555 126.5
[M]+ 127.06033 115.3
[M]- 127.06143 115.3
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