CID 6337

Chloroethane

Structural Information

Molecular Formula

SMILES

CCCl

InChI

InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3

InChIKey

HRYZWHHZPQKTII-UHFFFAOYSA-N

Compound name

chloroethane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 991
References: 137579
Patents: 64.00798 Da
Monoisotopic Mass: 1.2
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]+	65.015256	105.2
[M+Na]+	86.997198	114.8
[M-H]-	63.000704	106.1
[M+NH4]+	82.041803	131.0
[M+K]+	102.97114	113.8
[M+H-H2O]+	47.005240	102.9
[M+HCOO]-	109.00618	125.8
[M+CH3COO]-	123.02183	159.3
[M+Na-2H]-	84.982646	114.3
[M]+	64.007431	106.7
[M]-	64.008529	106.7

Literature stripe

literature stripe

Patent stripe

patents stripe