CID 3033518

P-chlorophenyl allyldithiocarbamate

Structural Information

Molecular Formula
C10H10ClNS2
SMILES
C=CCNC(=S)SC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H10ClNS2/c1-2-7-12-10(13)14-9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H,12,13)
InChIKey
VPLOSSAXDHZJHC-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) N-prop-2-enylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.99432 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00160 151.0
[M+Na]+ 265.98354 162.9
[M+NH4]+ 261.02814 160.5
[M+K]+ 281.95748 151.2
[M-H]- 241.98704 154.3
[M+Na-2H]- 263.96899 156.5
[M]+ 242.99377 154.8
[M]- 242.99487 154.8
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.