CID 67817

Heptanoyl fluoride, tridecafluoro-

Structural Information

Molecular Formula

C₇F₁₄O

SMILES

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

InChI

InChI=1S/C7F14O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21

InChIKey

XLIFBQWTSCGUEB-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl fluoride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 449
Patents: 365.97256 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]+	366.97984	163.5
[M+Na]+	388.96178	173.3
[M-H]-	364.96528	148.9
[M+NH4]+	384.00638	152.1
[M+K]+	404.93572	170.4
[M+H-H2O]+	348.96982	149.8
[M+HCOO]-	410.97076	164.5
[M+CH3COO]-	424.98641	215.4
[M+Na-2H]-	386.94723	166.0
[M]+	365.97201	141.8
[M]-	365.97311	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe