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
2
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 216.7
[M+Na]+ 692.13022 224.3
[M-H]- 668.13372 228.7
[M+NH4]+ 687.17482 228.2
[M+K]+ 708.10416 230.7
[M+H-H2O]+ 652.13826 201.3
[M+HCOO]- 714.13920 238.0
[M+CH3COO]- 728.15485 264.1
[M+Na-2H]- 690.11567 212.3
[M]+ 669.14045 212.0
[M]- 669.14155 212.0
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.