CID 67645

Perfluorotripropylamine

Structural Information

Molecular Formula
C9F21N
SMILES
C(C(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24
InChIKey
JAJLKEVKNDUJBG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

32
References

4394
Patents

520.96954 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.97682 169.2
[M+Na]+ 543.95876 176.7
[M-H]- 519.96226 178.9
[M+NH4]+ 539.00336 180.3
[M+K]+ 559.93270 185.5
[M+H-H2O]+ 503.96680 159.1
[M+HCOO]- 565.96774 187.6
[M+CH3COO]- 579.98339 244.4
[M+Na-2H]- 541.94421 171.3
[M]+ 520.96899 165.7
[M]- 520.97009 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe