CID 138394643

1-propanaminium, 3-[[4-[(heptadecafluorononyl)oxy]benzoyl]amino]-n,n,n-trimethyl- (9ci)

Structural Information

Molecular Formula
C22H22F17N2O2
SMILES
C[N+](C)(C)CCCNC(=O)C1=CC=C(C=C1)OC(C(C(C(C(C(C(CC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C22H21F17N2O2/c1-41(2,3)10-4-9-40-14(42)12-5-7-13(8-6-12)43-22(38,39)21(36,37)20(34,35)19(32,33)18(30,31)17(28,29)15(23,24)11-16(25,26)27/h5-8H,4,9-11H2,1-3H3/p+1
InChIKey
LENDGRWTJNFJQE-UHFFFAOYSA-O
Compound name
3-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,9,9,9-heptadecafluorononoxy)benzoyl]amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

669.141 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.14828 156.3
[M+Na]+ 692.13022 156.4
[M+NH4]+ 687.17482 156.5
[M+K]+ 708.10416 156.4
[M-H]- 668.13372 156.2
[M+Na-2H]- 690.11567 156.0
[M]+ 669.14045 156.3
[M]- 669.14155 156.3
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

No patent data available for this compound.