CID 2769670

Tridecafluoroheptanamide

Structural Information

Molecular Formula

C₇H₂F₁₃NO

SMILES

C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N

InChI

InChI=1S/C7H2F13NO/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H2,21,22)

InChIKey

SMJYTRJJHRJAED-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 362.9929 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	364.00018	177.7
[M+Na]+	385.98212	177.5
[M+NH4]+	381.02672	176.8
[M+K]+	401.95606	176.5
[M-H]-	361.98562	173.1
[M+Na-2H]-	383.96757	175.9
[M]+	362.99235	176.2
[M]-	362.99345	176.2

Literature stripe

literature stripe

Patent stripe

patents stripe