CID 115970

63978-55-2

Structural Information

Molecular Formula
C8H15Cl2NO2S
SMILES
C=CS(=O)(=O)CCN(CCCl)CCCl
InChI
InChI=1S/C8H15Cl2NO2S/c1-2-14(12,13)8-7-11(5-3-9)6-4-10/h2H,1,3-8H2
InChIKey
ILSOXKMICJIDOD-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-ethenylsulfonylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.02005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02733 153.5
[M+Na]+ 282.00927 161.1
[M-H]- 258.01277 154.9
[M+NH4]+ 277.05387 172.5
[M+K]+ 297.98321 156.4
[M+H-H2O]+ 242.01731 150.1
[M+HCOO]- 304.01825 162.7
[M+CH3COO]- 318.03390 195.3
[M+Na-2H]- 279.99472 155.3
[M]+ 259.01950 160.7
[M]- 259.02060 160.7
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.