CID 47206

64059-04-7

Structural Information

Molecular Formula
C9H10N2O2S3
SMILES
CN(C(=S)SC1=CC=CC=C1[N+](=O)[O-])SC
InChI
InChI=1S/C9H10N2O2S3/c1-10(15-2)9(14)16-8-6-4-3-5-7(8)11(12)13/h3-6H,1-2H3
InChIKey
NYDUHPSZYOMTRJ-UHFFFAOYSA-N
Compound name
(2-nitrophenyl) N-methyl-N-methylsulfanylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.99045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99773 152.8
[M+Na]+ 296.97967 157.7
[M-H]- 272.98317 156.0
[M+NH4]+ 292.02427 168.1
[M+K]+ 312.95361 147.9
[M+H-H2O]+ 256.98771 149.5
[M+HCOO]- 318.98865 160.7
[M+CH3COO]- 333.00430 194.5
[M+Na-2H]- 294.96512 154.3
[M]+ 273.98990 151.1
[M]- 273.99100 151.1
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.