CID 87603676

1186202-35-6

Structural Information

Molecular Formula

C₅H₆ClF₃O

SMILES

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

InChI

InChI=1S/C5H6ClF3O/c6-4(10)2-1-3-5(7,8)9/h1-3H2

InChIKey

JIEZNTACJYYTDK-UHFFFAOYSA-N

Compound name

5,5,5-trifluoropentanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 174.00592 Da
Monoisotopic Mass: 2.5
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]+	175.01320	127.2
[M+Na]+	196.99514	136.3
[M-H]-	172.99864	123.9
[M+NH4]+	192.03974	148.4
[M+K]+	212.96908	133.6
[M+H-H2O]+	157.00318	121.8
[M+HCOO]-	219.00412	141.7
[M+CH3COO]-	233.01977	177.9
[M+Na-2H]-	194.98059	132.3
[M]+	174.00537	125.8
[M]-	174.00647	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe