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

107
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 138.3
[M+Na]+ 232.05314 145.9
[M-H]- 208.05664 130.9
[M+NH4]+ 227.09774 156.7
[M+K]+ 248.02708 143.9
[M+H-H2O]+ 192.06118 128.9
[M+HCOO]- 254.06212 153.5
[M+CH3COO]- 268.07777 188.6
[M+Na-2H]- 230.03859 143.2
[M]+ 209.06337 129.7
[M]- 209.06447 129.7
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

patents stripe