CID 37344

36024-66-5

Structural Information

Molecular Formula

C₅H₉Cl₂NO

SMILES

C(CCl)N(CCCl)C=O

InChI

InChI=1S/C5H9Cl2NO/c6-1-3-8(5-9)4-2-7/h5H,1-4H2

InChIKey

WOTKECVLVPVNQJ-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 169.00612 Da
Monoisotopic Mass: 0.9
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]+	170.01340	131.8
[M+Na]+	191.99534	140.1
[M-H]-	167.99884	132.8
[M+NH4]+	187.03994	153.9
[M+K]+	207.96928	137.4
[M+H-H2O]+	152.00338	128.7
[M+HCOO]-	214.00432	148.2
[M+CH3COO]-	228.01997	182.3
[M+Na-2H]-	189.98079	137.6
[M]+	169.00557	136.5
[M]-	169.00667	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe