CID 3033207

Phenyl allyldithiocarbamate

Structural Information

Molecular Formula
C10H11NS2
SMILES
C=CCNC(=S)SC1=CC=CC=C1
InChI
InChI=1S/C10H11NS2/c1-2-8-11-10(12)13-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
InChIKey
WZQVHXQNGGAOCD-UHFFFAOYSA-N
Compound name
phenyl N-prop-2-enylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.0333 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04058 142.4
[M+Na]+ 232.02252 149.3
[M-H]- 208.02602 145.5
[M+NH4]+ 227.06712 161.5
[M+K]+ 247.99646 143.6
[M+H-H2O]+ 192.03056 136.2
[M+HCOO]- 254.03150 155.6
[M+CH3COO]- 268.04715 185.6
[M+Na-2H]- 230.00797 143.7
[M]+ 209.03275 142.6
[M]- 209.03385 142.6
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

patents stripe