CID 54592798

4,4,4-trifluorobutane-1,3-diamine dihydrochloride

Structural Information

Molecular Formula
C4H9F3N2
SMILES
C(CN)C(C(F)(F)F)N
InChI
InChI=1S/C4H9F3N2/c5-4(6,7)3(9)1-2-8/h3H,1-2,8-9H2
InChIKey
SKJDAWLQEAUBDF-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobutane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

142.07178 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.079056 125.7
[M+Na]+ 165.060998 132.4
[M-H]- 141.064504 121.3
[M+NH4]+ 160.105603 146.1
[M+K]+ 181.034938 131.4
[M+H-H2O]+ 125.069040 118.6
[M+HCOO]- 187.069981 145.1
[M+CH3COO]- 201.085631 178.2
[M+Na-2H]- 163.046446 129.6
[M]+ 142.07123142 117.5
[M]- 142.07232858 117.5
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