CID 14922999

8h-perfluorooctanoic acid

Structural Information

Molecular Formula

C₈H₂F₁₄O₂

SMILES

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

InChI

InChI=1S/C8H2F14O2/c9-1(10)3(11,12)5(15,16)7(19,20)8(21,22)6(17,18)4(13,14)2(23)24/h1H,(H,23,24)

InChIKey

AEBAYKKLSQLBDU-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 93
Patents: 395.98312 Da
Monoisotopic Mass: 4.7
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]+	396.99040	168.3
[M+Na]+	418.97234	177.0
[M-H]-	394.97584	154.8
[M+NH4]+	414.01694	157.2
[M+K]+	434.94628	174.2
[M+H-H2O]+	378.98038	154.9
[M+HCOO]-	440.98132	165.5
[M+CH3COO]-	454.99697	218.7
[M+Na-2H]-	416.95779	169.5
[M]+	395.98257	146.1
[M]-	395.98367	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe