CID 11536

590-21-6

Structural Information

Molecular Formula

SMILES

CC=CCl

InChI

InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3

InChIKey

OWXJKYNZGFSVRC-UHFFFAOYSA-N

Compound name

1-chloroprop-1-ene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2
References: 13167
Patents: 76.00798 Da
Monoisotopic Mass: 1.7
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]+	77.015256	108.7
[M+Na]+	98.997198	118.3
[M-H]-	75.000704	109.5
[M+NH4]+	94.041803	134.1
[M+K]+	114.971138	116.4
[M+H-H2O]+	59.005240	106.3
[M+HCOO]-	121.006181	129.2
[M+CH3COO]-	135.021831	160.7
[M+Na-2H]-	96.982646	117.3
[M]+	76.00743142	109.8
[M]-	76.00852858	109.8

Literature stripe

literature stripe

Patent stripe

patents stripe