CID 3627600

6-chloro-perfluorohexanoic acid

Structural Information

Molecular Formula

C₆HClF₁₀O₂

SMILES

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

InChI

InChI=1S/C6HClF10O2/c7-6(16,17)5(14,15)4(12,13)3(10,11)2(8,9)1(18)19/h(H,18,19)

InChIKey

ZDHGZQAAGQRUQT-UHFFFAOYSA-N

Compound name

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 329.95053 Da
Monoisotopic Mass: 3.8
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]+	330.957806	149.4
[M+Na]+	352.939748	159.3
[M-H]-	328.943254	137.4
[M+NH4]+	347.984353	162.8
[M+K]+	368.913688	155.2
[M+H-H2O]+	312.947790	139.5
[M+HCOO]-	374.948731	149.2
[M+CH3COO]-	388.964381	203.7
[M+Na-2H]-	350.925196	153.8
[M]+	329.94998142	135.9
[M]-	329.95107858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.