CID 122240015

2,4,4-trifluorobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H8F3N
SMILES
C(C(CN)F)C(F)F
InChI
InChI=1S/C4H8F3N/c5-3(2-8)1-4(6)7/h3-4H,1-2,8H2
InChIKey
ZAPHFJVWEOFGJN-UHFFFAOYSA-N
Compound name
2,4,4-trifluorobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.06816 122.3
[M+Na]+ 150.05010 129.1
[M-H]- 126.05360 118.3
[M+NH4]+ 145.09470 143.7
[M+K]+ 166.02404 128.6
[M+H-H2O]+ 110.05814 115.1
[M+HCOO]- 172.05908 141.9
[M+CH3COO]- 186.07473 175.3
[M+Na-2H]- 148.03555 125.3
[M]+ 127.06033 115.9
[M]- 127.06143 115.9
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

No patent data available for this compound.