CID 21677

Cyanamide, bis(2-chloroethyl)-

Structural Information

Molecular Formula
C5H8Cl2N2
SMILES
C(CCl)N(CCCl)C#N
InChI
InChI=1S/C5H8Cl2N2/c6-1-3-9(5-8)4-2-7/h1-4H2
InChIKey
WEFXPJFBJBOZMX-UHFFFAOYSA-N
Compound name
bis(2-chloroethyl)cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.00645 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.013726 130.7
[M+Na]+ 188.995668 140.8
[M-H]- 164.999174 132.1
[M+NH4]+ 184.040273 150.8
[M+K]+ 204.969608 137.7
[M+H-H2O]+ 149.003710 121.1
[M+HCOO]- 211.004651 144.1
[M+CH3COO]- 225.020301 194.5
[M+Na-2H]- 186.981116 136.4
[M]+ 166.00590142 129.5
[M]- 166.00699858 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.