CID 31369

Chloroprene

Structural Information

Molecular Formula

SMILES

C=CC(=C)Cl

InChI

InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2

InChIKey

YACLQRRMGMJLJV-UHFFFAOYSA-N

Compound name

2-chlorobuta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 136
References: 62661
Patents: 88.00798 Da
Monoisotopic Mass: 2.3
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]+	89.015256	111.8
[M+Na]+	110.997198	121.0
[M-H]-	87.000704	112.5
[M+NH4]+	106.041803	136.5
[M+K]+	126.971138	118.5
[M+H-H2O]+	71.005240	109.3
[M+HCOO]-	133.006181	131.2
[M+CH3COO]-	147.021831	164.2
[M+Na-2H]-	108.982646	118.6
[M]+	88.00743142	112.0
[M]-	88.00852858	112.0

Literature stripe

literature stripe

Patent stripe

patents stripe