CID 47003649

1,1,1-trifluoro-4-phenylbutane-2,3-diamine

Structural Information

Molecular Formula
C10H13F3N2
SMILES
C1=CC=C(C=C1)CC(C(C(F)(F)F)N)N
InChI
InChI=1S/C10H13F3N2/c11-10(12,13)9(15)8(14)6-7-4-2-1-3-5-7/h1-5,8-9H,6,14-15H2
InChIKey
QVVAVUSJVMSJQJ-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-phenylbutane-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10309 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11037 147.1
[M+Na]+ 241.09231 153.3
[M+NH4]+ 236.13691 152.3
[M+K]+ 257.06625 149.5
[M-H]- 217.09581 144.6
[M+Na-2H]- 239.07776 150.5
[M]+ 218.10254 146.7
[M]- 218.10364 146.7
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.