CID 101656

338-81-8

Structural Information

Molecular Formula
C7F17N
SMILES
C(C(N(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C7F17N/c8-1(9,2(10,11)12)5(19,20)25(6(21,22)3(13,14)15)7(23,24)4(16,17)18
InChIKey
DMCQAUFFUCJXEL-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

420.97592 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.98320 177.7
[M+Na]+ 443.96514 187.5
[M-H]- 419.96864 162.3
[M+NH4]+ 439.00974 165.1
[M+K]+ 459.93908 184.9
[M+H-H2O]+ 403.97318 161.8
[M+HCOO]- 465.97412 175.0
[M+CH3COO]- 479.98977 228.9
[M+Na-2H]- 441.95059 179.6
[M]+ 420.97537 151.2
[M]- 420.97647 151.2
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