CID 67919

Perfluorooctanamide

Structural Information

Molecular Formula

C₈H₂F₁₅NO

SMILES

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

InChI

InChI=1S/C8H2F15NO/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H2,24,25)

InChIKey

UGMUDSKJLAUMTC-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 195
Patents: 412.9897 Da
Monoisotopic Mass: 4.3
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]+	413.996976	174.4
[M+Na]+	435.978918	183.2
[M-H]-	411.982424	157.6
[M+NH4]+	431.023523	157.4
[M+K]+	451.952858	180.2
[M+H-H2O]+	395.986960	160.1
[M+HCOO]-	457.987901	168.1
[M+CH3COO]-	472.003551	225.2
[M+Na-2H]-	433.964366	176.5
[M]+	412.98915142	146.4
[M]-	412.99024858	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe