CID 136645

4,4,4-trifluorobutylamine

Structural Information

Molecular Formula
C4H8F3N
SMILES
C(CC(F)(F)F)CN
InChI
InChI=1S/C4H8F3N/c5-4(6,7)2-1-3-8/h1-3,8H2
InChIKey
LAXWLCVPJLBABV-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

733
Patents

127.06088 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.06816 121.4
[M+Na]+ 150.05010 129.2
[M-H]- 126.05360 117.5
[M+NH4]+ 145.09470 143.1
[M+K]+ 166.02404 128.2
[M+H-H2O]+ 110.05814 114.8
[M+HCOO]- 172.05908 141.4
[M+CH3COO]- 186.07473 173.2
[M+Na-2H]- 148.03555 127.5
[M]+ 127.06033 115.7
[M]- 127.06143 115.7
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