CID 7216

Sulfallate

Structural Information

Molecular Formula
C8H14ClNS2
SMILES
CCN(CC)C(=S)SCC(=C)Cl
InChI
InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3
InChIKey
XJCLWVXTCRQIDI-UHFFFAOYSA-N
Compound name
2-chloroprop-2-enyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

20
References

8502
Patents

223.02562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03290 150.7
[M+Na]+ 246.01484 159.3
[M+NH4]+ 241.05944 159.3
[M+K]+ 261.98878 149.7
[M-H]- 222.01834 151.2
[M+Na-2H]- 244.00029 152.3
[M]+ 223.02507 153.1
[M]- 223.02617 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe