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]+ 128.068156 122.3
[M+Na]+ 150.050098 129.1
[M-H]- 126.053604 118.3
[M+NH4]+ 145.094703 143.7
[M+K]+ 166.024038 128.6
[M+H-H2O]+ 110.058140 115.1
[M+HCOO]- 172.059081 141.9
[M+CH3COO]- 186.074731 175.3
[M+Na-2H]- 148.035546 125.3
[M]+ 127.06033142 115.9
[M]- 127.06142858 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.