CID 550541

Perfluoro(dibutylmethylamine)

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

198
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