CID 26941379

Bis(3,3,3-trifluoropropyl)amine

Structural Information

Molecular Formula
C6H9F6N
SMILES
C(CNCCC(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H9F6N/c7-5(8,9)1-3-13-4-2-6(10,11)12/h13H,1-4H2
InChIKey
BCJXLCSPWYKZAE-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

209.06392 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07120 159.5
[M+Na]+ 232.05314 162.7
[M+NH4]+ 227.09774 161.6
[M+K]+ 248.02708 158.8
[M-H]- 208.05664 151.8
[M+Na-2H]- 230.03859 158.6
[M]+ 209.06337 157.3
[M]- 209.06447 157.3
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