CID 4042350

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-n-(2-hydroxyethyl)heptanamide

Structural Information

Molecular Formula

C₉H₆F₁₃NO₂

SMILES

C(CO)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C9H6F13NO2/c10-4(11,3(25)23-1-2-24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h24H,1-2H2,(H,23,25)

InChIKey

NRAFXYRAMCXRGD-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyethyl)heptanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 407.0191 Da
Monoisotopic Mass: 3.3
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]+	408.026376	174.5
[M+Na]+	430.008318	182.2
[M-H]-	406.011824	161.3
[M+NH4]+	425.052923	160.9
[M+K]+	445.982258	179.1
[M+H-H2O]+	390.016360	161.1
[M+HCOO]-	452.017301	172.0
[M+CH3COO]-	466.032951	221.2
[M+Na-2H]-	427.993766	177.1
[M]+	407.01855142	151.1
[M]-	407.01964858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe