CID 17073

2,3,4-trichloro-1-butene

Structural Information

Molecular Formula

SMILES

C=C(C(CCl)Cl)Cl

InChI

InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2

InChIKey

WZUZDBPJFHQVJC-UHFFFAOYSA-N

Compound name

2,3,4-trichlorobut-1-ene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 3
References: 62
Patents: 157.94568 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]+	158.95296	125.2
[M+Na]+	180.93490	134.1
[M-H]-	156.93840	124.1
[M+NH4]+	175.97950	147.0
[M+K]+	196.90884	129.5
[M+H-H2O]+	140.94294	124.0
[M+HCOO]-	202.94388	132.9
[M+CH3COO]-	216.95953	176.9
[M+Na-2H]-	178.92035	128.8
[M]+	157.94513	126.2
[M]-	157.94623	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe