CID 25020

1-chloroaziridine

Structural Information

Molecular Formula

SMILES

C1CN1Cl

InChI

InChI=1S/C2H4ClN/c3-4-1-2-4/h1-2H2

InChIKey

VJVCZFNMCHLMKC-UHFFFAOYSA-N

Compound name

1-chloroaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 87
Patents: 77.00323 Da
Monoisotopic Mass: 0.4
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]+	78.010506	111.3
[M+Na]+	99.992448	122.5
[M-H]-	75.995954	114.7
[M+NH4]+	95.037053	130.0
[M+K]+	115.96639	120.2
[M+H-H2O]+	60.000490	106.0
[M+HCOO]-	122.00143	130.9
[M+CH3COO]-	136.01708	164.5
[M+Na-2H]-	97.977896	120.3
[M]+	77.002681	114.0
[M]-	77.003779	114.0

Literature stripe

literature stripe

Patent stripe

patents stripe