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 147.6
[M+Na]+ 265.98354 155.8
[M-H]- 241.98704 151.2
[M+NH4]+ 261.02814 166.5
[M+K]+ 281.95748 148.5
[M+H-H2O]+ 225.99158 142.8
[M+HCOO]- 287.99252 156.3
[M+CH3COO]- 302.00817 190.4
[M+Na-2H]- 263.96899 148.0
[M]+ 242.99377 149.9
[M]- 242.99487 149.9
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.